Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4665152

CC(C)=N.CC(C)=N.Cl.O=S(O)Cl

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.33
CA1 P00915 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10877931 0.96
Hydrochloric Acid SCHEMBL5733148 0.80
SCHEMBL11878568 0.76
SCHEMBL584119 0.76
Hydrochloric Acid SCHEMBL875610 0.71
SCHEMBL6668072 0.69
Hydrochloric Acid SCHEMBL10702300 0.68
SCHEMBL6663276 0.67
SCHEMBL6666966 0.67
SCHEMBL48991 0.66

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470786-B2 Method for manufacture of ceftriaxone sodium LUPIN LIMITED (IN) 2008-12-30 US disclosed
EP-1996601-A2 PROCESS FOR THE PRODUCTION OF A CHLORINATING REAGENT AND ITS USE IN THE PREPARATION OF CHLORINATED SUGARS V.B. MEDICARE PVT. LTD. (IN) 2008-12-03 EP disclosed
US-7452990-B2 4-halo-2-oxyimino-3-oxo butyric acid-N,N-dimethyl formiminium chloride chlorosulfate; cephalosporins that may be prepared from the intermediate include cefdinir, cefditoren pivoxil, cefepime, cefetamet pivoxil, cefixime, cefmenoxime, cefodizime, cefoselis, cefotaxime, cefpirome, cefpodoxime proxetil, etc LUPIN LIMITED (IN) 2008-11-18 US disclosed
WO-2007099557-A2 PROCESS FOR THE PRODUCTION OF A CHLORINATING REAGENT AND ITS USE IN THE PREPARATION OF CHLORINATED SUGARS V. B. MEDICARE PVT. LTD. (IN) 2007-09-07 WO disclosed
US-20070049749-A1 Method for Manufacture of Ceftriaxone Sodium LUPIN LIMITED (RESEARCH PARK) (IN) 2007-03-01 US disclosed
US-20070015917-A1 Method For Manufacture of Ceftriaxone Sodium LUPIN LIMITED (RESEARCH PARK) (IN) 2007-01-18 US disclosed
US-20070004916-A1 Process for the production of cefotaxime sodium WOCKHARDT LIMITED 2007-01-04 US disclosed
US-20060135761-A1 4-halo-2-oxyimino-3-oxo butyric acid-N,N-dimethyl formiminium chloride chlorosulfate; cephalosporins that may be prepared from the intermediate include cefdinir, cefditoren pivoxil, cefepime, cefetamet pivoxil, cefixime, cefmenoxime, cefodizime, cefoselis, cefotaxime, cefpirome, cefpodoxime proxetil, etc LUPIN LIMITED (IN) 2006-06-22 US disclosed
EP-1575913-A1 NOVEL INTERMEDIATES FOR SYNTHESIS OF CEPHALOSPORINS AND PROCESS FOR PREPARATION OF SUCH INTERMEDIATES Lupin Limited (IN) 2005-09-21 EP disclosed
US-20050059820-A1 Method for manufacture of ceftriaxone sodium LUPIN LIMITED (IN) 2005-03-17 US disclosed
WO-2004058695-A1 NOVEL INTERMEDIATES FOR SYNTHESIS OF CEPHALOSPORINS AND PROCESS FOR PREPARATION OF SUCH INTERMEDIATES LUPIN LIMITED (IN) 2004-07-15 WO disclosed
EP-0791597-B1 Method for manufacture of cephalosporins and intermediates thereof LUPIN LAB LTD (IN) 2000-07-12 EP disclosed
US-5945532-A Method for manufacture of cephalosporin and intermediates thereof LUPIN LABORATORIES LIMITED (IN) 1999-08-31 US disclosed
US-5856502-A Method for manufacture of cephalosporin and intermediates thereof LUPIN LABORATORIES LIMITED (IN) 1999-01-05 US disclosed
US-5739346-A Dimethyl formiminium chloride chlorosulphate derivatives useful as intermediates for producing cephalosporins LUPIN LABORATORIES LIMITED (IN) 1998-04-14 US disclosed
EP-0791596-A1 Method for manufacture of cephalosporins and intermediates thereof LUPIN LABORATORIES LIMITED (IN) 1997-08-27 EP disclosed
EP-0791597-A1 Method for manufacture of cephalosporins and intermediates thereof LUPIN LABORATORIES LIMITED (IN) 1997-08-27 EP disclosed
EP-0347777-B1 Process for preparing cephalosporins and intermediates therefor BIOCHEMIE SA (ES) 1994-11-09 EP disclosed
US-5037988-A Process for preparing cephalosporins and intermediates therefor GEMA S.A. (ES) 1991-08-06 US disclosed
EP-0347777-A2 Process for preparing cephalosporins and intermediates therefor BIOCHEMIE S.A. (ES) 1989-12-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070049749-A1 Method for Manufacture of Ceftriaxone Sodium TREH, CHAT, MRPL21 CA2 1218/4885CA1 1613/4885
US-20050059820-A1 Method for manufacture of ceftriaxone sodium TREH, CHAT, MRPL21 CA2 1218/4885CA1 1613/4885
US-20070004916-A1 Process for the production of cefotaxime sodium TALDO1, CEPT1, ADH1A CA2 1301/4885CA1 2153/4885
US-20070015917-A1 Method For Manufacture of Ceftriaxone Sodium TREH, CHAT, MRPL21 CA2 1218/4885CA1 1613/4885
US-20060135761-A1 4-halo-2-oxyimino-3-oxo butyric acid-N,N-dimethyl formiminium chloride chlorosulfate; cephalosporins that may be prepared from the intermediate include cefdinir, cefditoren pivoxil, cefepime, cefetamet pivoxil, cefixime, cefmenoxime, cefodizime, cefoselis, cefotaxime, cefpirome, cefpodoxime proxetil, etc CYP2F1, CYP2W1, CYP4F11 CA2 704/4885CA1 901/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.