Water

Water

SCHEMBL16777902

Cc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1cc[nH]c(=O)c1.O

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Water. 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
SCN10A known ✓ Q9Y5Y9 20/20 0.98
SCN8A known ✓ Q9UQD0 19/20 0.98

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
SCHEMBL15561688 0.99 SCN10A (1.00) SCN10ASCN8A
SCHEMBL29919126 0.99 SCN10A (1.00) SCN10ASCN8A
Phosphoric Acid SCHEMBL28485917 0.96 SCN10A (0.94) SCN10ASCN8A
SCHEMBL29919203 0.93 SCN8A (0.88) SCN10ASCN8A
SCHEMBL20564941 0.93 SCN8A (0.88) SCN10ASCN8A
SCHEMBL29918864 0.92 SCN10A (1.00) SCN10ASCN8A
SCHEMBL15561761 0.92 SCN10A (1.00) SCN10ASCN8A
SCHEMBL15561754 0.92 SCN8A (1.00) SCN10ASCN8A
SCHEMBL15561870 0.89 SCN10A (1.00) SCN10ASCN8A
SCHEMBL29919251 0.89 SCN10A (1.00) SCN10ASCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3459958-B1 PROCESS AND INTERMEDIATES FOR PREPARING PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2024-08-07 EP disclosed
US-11773119-B2 Prodrugs of pyridone amides useful as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-03 US disclosed
CN-108395452-B Prodrugs of pyridone amides as sodium channel modulators 沃泰克斯药物股份有限公司 2021-08-03 CN disclosed
US-20200377535-A1 PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2020-12-03 US disclosed
US-10787472-B2 Prodrugs of pyridone amides useful as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-29 US disclosed
US-20190276483-A1 PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2019-09-12 US disclosed
US-10253054-B2 Prodrugs of pyridone amides useful as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-04-09 US disclosed
EP-3459958-A1 PROCESS AND INTERMEDIATES FOR PREPARING PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2019-03-27 EP disclosed
EP-3080134-B1 PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2018-08-01 EP disclosed
US-20180044361-A1 PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2018-02-15 US disclosed
US-9828397-B2 Prodrugs of pyridone amides useful as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-11-28 US disclosed
US-20160376295-A1 PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2016-12-29 US disclosed
EP-3080134-A1 PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Inc. (US) 2016-10-19 EP disclosed
US-9464102-B2 Prodrugs of pyridone amides useful as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-10-11 US disclosed
US-20160009743-A1 PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2016-01-14 US disclosed
US-9163042-B2 Prodrugs of pyridone amides useful as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-10-20 US disclosed
US-20150166589-A1 PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2015-06-18 US disclosed
WO-2015089361-A1 PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-18 WO 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 (9 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-10253054-B2 Prodrugs of pyridone amides useful as modulators of sodium channels TRPV1, P2RY1, P2RX3 SCN10A 32/4885SCN8A 70/4885
US-20160376295-A1 PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS TRPV1, P2RY1, P2RX3 SCN10A 32/4885SCN8A 70/4885
US-20160009743-A1 PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS TRPV1, P2RY1, P2RX3 SCN10A 32/4885SCN8A 70/4885
US-20200377535-A1 PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS TRPV1, P2RY1, P2RX3 SCN10A 32/4885SCN8A 70/4885
US-20180044361-A1 PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS TRPV1, P2RY1, P2RX3 SCN10A 32/4885SCN8A 70/4885
US-10787472-B2 Prodrugs of pyridone amides useful as modulators of sodium channels TRPV1, P2RY1, P2RX3 SCN10A 32/4885SCN8A 70/4885
US-20150166589-A1 PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS TRPV1, P2RY1, P2RX3 SCN10A 32/4885SCN8A 70/4885
US-11773119-B2 Prodrugs of pyridone amides useful as modulators of sodium channels TRPV1, P2RY1, P2RX3 SCN10A 32/4885SCN8A 70/4885
US-20190276483-A1 PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS TRPV1, P2RY1, P2RX3 SCN10A 32/4885SCN8A 70/4885

“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.