Hydrochloric Acid

Hydrochloric Acid

SCHEMBL237426

CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.Cl

nearest known ligand 0.42

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 12)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.40
F2 P00734 2/20 0.39
PSMB5 P28074 2/20 0.39
F10 P00742 1/20 0.39
PDF Q9HBH1 1/20 0.39
SSTR3 P32745 1/20 0.38
KEAP1 Q14145 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
PSMB1 P20618 1/20 0.37
TFPI P10646 1/20 0.37
PRTN3 P24158 1/20 0.36
GRPR P30550 1/20 0.36

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
SCHEMBL3958038 0.99 F2RL1 (0.41) F2RL1F2PSMB5F10PDF
SCHEMBL28744046 0.99 F2RL1 (0.41) F2RL1F2PSMB5F10PDF
Hydrochloric Acid SCHEMBL9751549 0.94 SSTR3 (0.42) F2PSMB5F10PDFSSTR3
SCHEMBL11509533 0.93 TFPI (0.41) F10PDFSSTR3TFPIPRTN3
Hydrochloric Acid SCHEMBL10944483 0.92 SSTR3 (0.41) F2PSMB5F10PDFSSTR3
SCHEMBL10961877 0.91 SSTR3 (0.41) F2PSMB5F10PDFSSTR3
SCHEMBL3174933 0.91 RXFP1 (0.41) F2RL1F2PSMB5PDFSSTR3
4-Nitroaniline SCHEMBL28072814 0.91 F2RL1 (0.40) F2RL1F2KEAP1RXFP1TFPI
SCHEMBL10960145 0.91 PDF (0.44) F2RL1F2PSMB5F10PDF
SCHEMBL29595898 0.89 F2RL1 (0.51) F2RL1PRTN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420332-B1 Method for determining the endogenous thrombin potential of plasma and blood, and also a kit for use in said method HEMKER HENDRIK COENRAAD (NL) 1995-04-26 EP claimed
EP-0420332-A2 Method for determining the endogenous thrombin potential of plasma and blood, and also a kit for use in said method Hemker, Hendrik Coenraad (NL) 1991-04-03 EP claimed
US-4160025-A Method of producing a blood-coagulation-promoting preparation from human blood plasma IMMUNO AKTIENGESELLSCHAFT FUR CHEMISCH-MEDIZINISCHE PRODUKTE (AT) 1979-07-03 US claimed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
EP-2635559-A2 NEUROTRYPSIN INHIBITORS Neurotune AG (CH) 2013-09-11 EP disclosed
US-8389261-B2 Method of isolation and purification of trypsin from pronase protease and use thereof BAXTER HEALTHCARE S.A. (CH) 2013-03-05 US disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 WO disclosed
US-20120003691-A1 METHOD OF ISOLATION AND PURIFICATION OF TRYPSIN FROM PRONASE PROTEASE AND USE THEREOF BAXTER HEALTHCARE S.A. (CH) 2012-01-05 US disclosed
EP-1456228-B1 METHOD OF ISOLATION AND PURIFICATION OF TRYPSIN FROM PRONASE AND USE THEREOF BAXTER HEALTHCARE SA (CH) 2011-05-04 EP disclosed
EP-1589029-B1 Pyrazinone protease inhibitors ORTHO MCNEIL PHARM INC (US) 2010-03-17 EP disclosed
US-7659380-B2 Method of isolation and purification of trypsin from pronase protease and use thereof BAXTER HEALTHCARE S.A. (CH) 2010-02-09 US disclosed
WO-1997036580-A1 AMIDINOHYDRAZONES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-10-09 WO disclosed
EP-0627925-A4 TRYPSIN INHIBITORS. CORVAS INT INC (US) 1997-07-30 EP disclosed
US-5534498-A TREATMENT OF PANCREATITIS CORVAS INTERNATIONAL, INC. (US) 1996-07-09 US disclosed
EP-0420332-B1 Method for determining the endogenous thrombin potential of plasma and blood, and also a kit for use in said method HEMKER HENDRIK COENRAAD (NL) 1995-04-26 EP disclosed
EP-0627925-A1 TRYPSIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1994-12-14 EP disclosed
WO-1993014779-A1 TRYPSIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1993-08-05 WO disclosed
US-5192689-A METHOD FOR DETERMINING THE ENDOGENOUS THROMBIN POTENTIAL OF PLASMA AND BLOOD HEMKER HENDRIK C (NL) 1993-03-09 US disclosed
EP-0420332-A2 Method for determining the endogenous thrombin potential of plasma and blood, and also a kit for use in said method Hemker, Hendrik Coenraad (NL) 1991-04-03 EP disclosed
US-4160025-A Method of producing a blood-coagulation-promoting preparation from human blood plasma IMMUNO AKTIENGESELLSCHAFT FUR CHEMISCH-MEDIZINISCHE PRODUKTE (AT) 1979-07-03 US 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 (2 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 F2RL1 2774/4885F2 4771/4885PSMB5 938/4885
US-20120003691-A1 METHOD OF ISOLATION AND PURIFICATION OF TRYPSIN FROM PRONASE PROTEASE AND USE THEREOF PRSS3, RNPEP, NPEPPS F2RL1 255/4885F2 1298/4885PSMB5 852/4885

“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.