SCHEMBL1536420

SCHEMBL1536420

O=C(O)/C=C(/Cl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.46
CES1 P23141 5/20 0.46
CES2 O00748 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA9 Q16790 2/20 0.45
MAPK1 P28482 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
PDPK1 O15530 1/20 0.43
TRPA1 O75762 1/20 0.43
GSK3B P49841 1/20 0.43
HIF1A Q16665 1/20 0.43
AKT1 P31749 1/20 0.43

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
SCHEMBL1536421 1.00 NFE2L2 (0.46) NFE2L2CES1CES2ALDH1A1TSHR
SCHEMBL3809749 1.00 NFE2L2 (0.46) NFE2L2CES1CES2ALDH1A1TSHR
Nitrous Acid SCHEMBL28033154 0.92 NFE2L2 (0.41) NFE2L2CES1CES2ALDH1A1TSHR
SCHEMBL4238491 0.86 NFE2L2 (0.46) NFE2L2CES1CES2ALDH1A1TSHR
SCHEMBL4238499 0.86 NFE2L2 (0.46) NFE2L2CES1CES2ALDH1A1TSHR
SCHEMBL4238493 0.86 NFE2L2 (0.46) NFE2L2CES1CES2ALDH1A1TSHR
SCHEMBL28417302 0.84 NFE2L2 (0.61) NFE2L2CES1CES2ALDH1A1TSHR
SCHEMBL7080067 0.82 CES2 (0.52) NFE2L2CES1CES2ALDH1A1TSHR
SCHEMBL7080066 0.82 CES2 (0.52) NFE2L2CES1CES2ALDH1A1TSHR
SCHEMBL10594825 0.80 ALDH1A1 (0.52) CES1CES2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
US-20150005342-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-01 US disclosed
US-8889871-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 US disclosed
US-20140163231-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-06-12 US disclosed
US-8710229-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-20130267713-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-10-10 US disclosed
US-8507722-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US disclosed
US-20120330019-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-27 US disclosed
US-20090274656-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
EP-1505963-A4 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-12-24 EP disclosed
US-7449479-B2 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 US disclosed
CN-1299677-C Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2007-02-14 CN disclosed
US-20060172950-A1 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid WANG XIANGDONG A 2006-08-03 US disclosed
US-6995174-B2 for inhibiting proteases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-07 US disclosed
CN-1668297-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2005-09-14 CN disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 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 (8 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-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 NFE2L2 3402/4885CES1 22/4885CES2 91/4885
US-20090274656-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, CTRB1 NFE2L2 3402/4885CES1 22/4885CES2 91/4885
US-20150005342-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 NFE2L2 3402/4885CES1 22/4885CES2 91/4885
US-20130267713-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 NFE2L2 3402/4885CES1 22/4885CES2 91/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 NFE2L2 3476/4885CES1 11/4885CES2 119/4885
US-20140163231-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 NFE2L2 3402/4885CES1 22/4885CES2 91/4885
US-20120330019-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 NFE2L2 3402/4885CES1 22/4885CES2 91/4885
US-20060172950-A1 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid PRSS1, CTRL, CTRB1 NFE2L2 3472/4885CES1 78/4885CES2 437/4885

“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.