Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7072124

CC(C)C(N)C(O)c1nnc(C(C)(C)C)o1.Cl

nearest known ligand 0.31

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 1)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 1/20 0.31

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
Hydrochloric Acid SCHEMBL7204551 1.00 DPP4 (0.31) DPP4
SCHEMBL7588588 0.98 DPP4 (0.31) DPP4
Hydrochloric Acid SCHEMBL7572025 0.81 DPP4 (0.30) DPP4
Hydrochloric Acid SCHEMBL7572022 0.81 DPP4 (0.30) DPP4
Hydrochloric Acid SCHEMBL7117389 0.81 ELANE (0.35)
SCHEMBL22314158 0.77 PKM (0.38)
SCHEMBL5808021 0.77 PKM (0.38)
SCHEMBL7561003 0.77 DPP4 (0.34) DPP4
SCHEMBL7561004 0.77 DPP4 (0.34) DPP4
SCHEMBL4114076 0.76

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656910-B2 Serine protease inhibitors CORTECH, INC. 2003-12-02 US disclosed
US-6656911-B2 Oxadiazole ring structure peptoids which are useful as inhibitors of serine proteases CORTECH, INC. 2003-12-02 US disclosed
US-20030203851-A1 Substituted oxadiazole, peptoids which are useful for treating adult respiratory distress syndrome, septic shock and myocardial ischemia-reperfusion injury CORTECH, INC. 2003-10-30 US disclosed
US-6608175-B2 Oxadiazole, thiadiazoles or triazole metal derivatives reacted with an amine containing aldehyde, deprotecting, coupling with an acid and oxidizing to create substituted oxadiazole, thiadiazole or triazole peptoids CORTECH, INC. 2003-08-19 US disclosed
US-20030153758-A1 1,3,4-Oxadiazole derivatives and process for producing the same ONO PHARMACEUTICAL CO., LTD. 2003-08-14 US disclosed
US-20030060418-A1 Serine protease inhibitors CORTECH, INC. 2003-03-27 US disclosed
US-6534658-B1 Intermediates for producing pharmaceuticals ONO PHARMACEUTICAL CO., LTD. (JP) 2003-03-18 US disclosed
US-20020119998-A1 Serine protease inhibitors CORTECH, INC. 2002-08-29 US disclosed
US-20020119985-A1 Serine protease inhibitors CORTECH, INC. 2002-08-29 US disclosed
EP-1162199-A1 1,3,4-OXADIAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2001-12-12 EP disclosed
US-6150334-A SUBSTITUTED OXADIAZOLE, THIADIAZOLE AND TRIAZOLE STRUCTURES WHICH ARE USEFUL AS INHIBITORS OF SERINE PROTEASES, INCLUDING HUMAN NEUTROPHIL ELASTASE CORTECH, INC. 2000-11-21 US disclosed
CN-1247542-A Serine protease inhibitors CORTECH INC (US) 2000-03-15 CN disclosed
US-6015791-A Serine protease inhibitors-cycloheptane derivatives CORTECH INC. (US) 2000-01-18 US disclosed
US-6001811-A TREATMENT OF ADULT RESPIRATORY DISTRESS SYNDROME, SEPSIS, MULTIPLE ORGAN FAILURE CORTECH INC. (US) 1999-12-14 US disclosed
US-5998379-A USEFUL AS INHIBITORS OF SERINE PROTEASES, IN PARTICULAR HUMAN NEUTROPHIL ELASTASE, TREATMENT OF ADULT RESPIRATORY DISTRESS SYNDROME, SEPTIC SHOCK, AND MYOCARDIAL ISCHEMIA-REPERFUSION INJURY CORTECH INC. (US) 1999-12-07 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 (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-20020119985-A1 Serine protease inhibitors PRSS1, SERPINB1, SERPINE1 DPP4 55/4885
US-20030203851-A1 Substituted oxadiazole, peptoids which are useful for treating adult respiratory distress syndrome, septic shock and myocardial ischemia-reperfusion injury TNNI3, PEPD, STK35 DPP4 40/4885
US-20030060418-A1 Serine protease inhibitors PRSS1, SERPINB1, SERPINE1 DPP4 55/4885
US-20020119998-A1 Serine protease inhibitors PRSS1, SERPINB1, SERPINE1 DPP4 55/4885
US-20030153758-A1 1,3,4-Oxadiazole derivatives and process for producing the same OXA1L, CYP1B1, OXER1 DPP4 1690/4885

“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.