SCHEMBL397260

SCHEMBL397260

Nc1ccccc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.58
PTGS1 P23219 3/20 0.58
ALOX5AP P20292 3/20 0.48
FEN1 P39748 3/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
EPHB4 P54760 2/20 0.46
FADS1 O60427 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
DHFR P00374 1/20 0.41
SLC9A1 P19634 1/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL31161110 1.00 PTGS2 (0.58) PTGS2PTGS1ALOX5APFEN1ADORA2A
SCHEMBL3904951 0.85 FEN1 (0.51) PTGS2PTGS1ALOX5APFEN1ALDH1A1
SCHEMBL3787019 0.82 ALDH1A1 (0.52) PTGS2PTGS1ALOX5APFEN1ALDH1A1
SCHEMBL20898128 0.82 PTGS2 (0.58) PTGS2PTGS1ADORA2AADORA1EPHB4
SCHEMBL31067152 0.82 PTGS2 (0.58) PTGS2PTGS1ADORA2AADORA1EPHB4
SCHEMBL331060 0.82 AHR (0.54) ADORA1ALDH1A1HSD17B10L3MBTL1DHFR
SCHEMBL1300021 0.82 ALDH1A1 (0.61) PTGS2PTGS1ALOX5APFEN1ADORA2A
SCHEMBL396633 0.82 FEN1 (0.55) PTGS2PTGS1ALOX5APFEN1ALDH1A1
SCHEMBL29647556 0.82 FEN1 (0.55) PTGS2PTGS1ALOX5APFEN1ALDH1A1
SCHEMBL29962162 0.82 AHR (0.54) ADORA1ALDH1A1HSD17B10L3MBTL1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
US-20150293078-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2015-10-15 US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20050124815-A1 Difluoromethyl thiazolyl carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2005-06-09 US disclosed
US-20050119347-A1 Microbicidal agents on the basis of biphenyl benzamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2005-06-02 US disclosed
EP-1501820-A1 METHYLTHIOPHENE CARBOXANILIDES Bayer CropScience AG (DE) 2005-02-02 EP disclosed
EP-1480516-A1 MICROBICIDAL AGENTS ON THE BASIS OF BIPHENYL BENZAMIDE DERIVATIVES Bayer CropScience AG (DE) 2004-12-01 EP disclosed
EP-1474407-A1 DIFLUOROMETHYL THIAZOLYL CARBOXANILIDES Bayer CropScience AG (DE) 2004-11-10 EP disclosed
EP-1474406-A1 DISUBSTITUTED THIAZOLYL CARBOXANILIDES AND THEIR USE AS MICROBICIDES Bayer CropScience Aktiengesellschaft (DE) 2004-11-10 EP disclosed
WO-2003091240-A1 METHYLTHIOPHENE CARBOXANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-11-06 WO disclosed
WO-2003069995-A1 MICROBICIDAL AGENTS ON THE BASIS OF BIPHENYL BENZAMIDE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-28 WO disclosed
WO-2003066610-A1 DIFLUOROMETHYL THIAZOLYL CARBOXANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-14 WO disclosed
WO-2003066609-A1 DISUBSTITUTED THIAZOLYL CARBOXANILIDES AND THEIR USE AS MICROBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-14 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 (7 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PTGS2 1409/4885PTGS1 1305/4885ALOX5AP 2982/4885
US-20050119347-A1 Microbicidal agents on the basis of biphenyl benzamide derivatives DDT, MSR1, CYP1B1 PTGS2 1834/4885PTGS1 2449/4885ALOX5AP 1144/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 PTGS2 1409/4885PTGS1 1305/4885ALOX5AP 2982/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PTGS2 1409/4885PTGS1 1305/4885ALOX5AP 2982/4885
US-20050124815-A1 Difluoromethyl thiazolyl carboxanilides MRPL21, FOXM1, FLT3 PTGS2 4056/4885PTGS1 3627/4885ALOX5AP 4365/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 PTGS2 1437/4885PTGS1 1130/4885ALOX5AP 2036/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PTGS2 1409/4885PTGS1 1305/4885ALOX5AP 2982/4885

“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.