Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2828492

Cl.Nc1ccc(C(=O)NC(=O)CNC(=O)[C@H](CO)NS(=O)(=O)Cc2ccccc2)cc1

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 20)

geneUniProtsupporting neighboursconfidence
▸ GAA known ✓ P10253 1/20 0.36
▸ ITGB3 known ✓ P05106 1/20 0.36
▸ ITGA2B known ✓ P08514 1/20 0.36
▸ F10 P00742 14/20 0.42
▸ F2 P00734 8/20 0.42
▸ PLG P00747 4/20 0.40
▸ PRSS1 P07477 4/20 0.40
▸ SLC1A3 P43003 1/20 0.40
▸ SLC1A2 P43004 1/20 0.40
▸ SLC1A1 P43005 1/20 0.40
▸ TMPRSS11D O60235 1/20 0.40
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ SLC22A6 Q4U2R8 1/20 0.37
▸ SLC22A8 Q8TCC7 1/20 0.37

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
SCHEMBL3805077 0.99 F10 (0.43) F10F2PLGPRSS1SLC1A3
Hydrochloric Acid SCHEMBL6853389 0.90 TMPRSS11D (0.50) F10F2PLGPRSS1TMPRSS11D
SCHEMBL2167336 0.89 TMPRSS11D (0.51) F10F2PLGPRSS1TMPRSS11D
Hydrochloric Acid SCHEMBL6544447 0.87 F10 (0.42) F10F2PLGPRSS1TMPRSS11D
SCHEMBL5499067 0.85 F10 (0.42) F10F2PLGPRSS1TMPRSS11D
SCHEMBL2821370 0.84 F10 (0.38) F10F2PLGPRSS1SLC1A3
SCHEMBL13456454 0.84 F10 (0.54) F10F2PLGPRSS1SLC1A3
SCHEMBL3749302 0.79 MME (0.49) F10F2SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL308853 0.78 F10 (0.37) F10F2PLGPRSS1TMPRSS11D
Hydrochloric Acid SCHEMBL307960 0.77 F7 (0.45) F10F2PLGPRSS1TMPRSS11D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807681-B2 Hydroxyamidine and hydroxyguanidine compounds as urokinase inhibitors WILEX AG (DE) 2010-10-05 — — US disclosed
US-20100068272-A1 HYDROXYAMIDINE AND HYDROXYGUANIDINE COMPOUNDS AS UROKINASE INHIBITORS WILEX AG (DE) 2010-03-18 — — US disclosed
US-7608623-B2 Hydroxyamidine and hydroxyguanidine compounds as urokinase inhibitors WILEX AG (DE) 2009-10-27 — — US disclosed
US-20080261998-A1 Hydroxyamidine and hydroxyguanidine compounds as urokinase inhibitors WILEX AG (DE) 2008-10-23 — — US disclosed
US-20060142305-A1 Hydroxyamidine and hydroxyguanidine compounds as urokinase inhibitors WILEX AG (DE) 2006-06-29 — — 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 (3 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-20060142305-A1 Hydroxyamidine and hydroxyguanidine compounds as urokinase inhibitors PLAU, PLAUR, HPN GAA 111/4885ITGB3 2737/4885ITGA2B 2249/4885
US-20100068272-A1 HYDROXYAMIDINE AND HYDROXYGUANIDINE COMPOUNDS AS UROKINASE INHIBITORS PLAU, PLAUR, HPN GAA 111/4885ITGB3 2737/4885ITGA2B 2249/4885
US-20080261998-A1 Hydroxyamidine and hydroxyguanidine compounds as urokinase inhibitors PLAU, PLAUR, HPN GAA 111/4885ITGB3 2737/4885ITGA2B 2249/4885

“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.

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