SCHEMBL8928897

SCHEMBL8928897

COc1cc(C)sc1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.46
MAPK1 P28482 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 4/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.37
AGTR1 P30556 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TNFSF11 O14788 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL9526014 0.84 PKM (0.46) MAPK1LMNAHTTALDH1A1HPGD
SCHEMBL3067240 0.82 SMN1; SMN2 (0.36) CYP3A4MAPK1SMN1; SMN2USP2LMNA
SCHEMBL8928555 0.82 MAPT (0.46) CYP3A4ALDH1A1HPGDTSHRMAPT
SCHEMBL14029304 0.78 CYP3A4 (0.44) CYP3A4MAPK1SMN1; SMN2USP2LMNA
SCHEMBL102004 0.74 ALDH1A1 (0.40) CYP3A4MAPK1SMN1; SMN2LMNAHTT
SCHEMBL23268912 0.73 CA2 (0.37) SMN1; SMN2USP2LMNAHTTTSHR
SCHEMBL8929358 0.72 CYP3A4 (0.43) CYP3A4MAPK1SMN1; SMN2USP2LMNA
SCHEMBL12555515 0.71 GSK3B (0.38) CYP3A4MAPK1SMN1; SMN2LMNAHTT
SCHEMBL23096771 0.71 MAPT (0.53) CYP3A4SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL12858754 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022145459-A1 NRF2-ACTIVATING COMPOUND 千寿製薬株式会社 2022-07-07 WO disclosed
US-20150038535-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMA (US) 2015-02-05 US disclosed
US-8853244-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-07 US disclosed
US-8759389-B1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-24 US disclosed
US-8399478-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US disclosed
US-8188134-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20110288095-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-24 US disclosed
US-20110178146-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7915305-B2 To treat autoimmune, inflammatory, proliferative, hyperproliferative,neurodegenerative or immunologically-mediated diseases; useful for the study of kinases in biological and pathological phenomena; study of intracellular signal transduction pathways mediated by such kinases, and comparative evaluation VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-29 US disclosed
US-7829590-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2010-11-09 US disclosed
US-20090286840-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-11-19 US disclosed
US-20080045570-A1 To treat autoimmune, inflammatory, proliferative, hyperproliferative,neurodegenerative or immunologically-mediated diseases; useful for the study of kinases in biological and pathological phenomena; study of intracellular signal transduction pathways mediated by such kinases, and comparative evaluation VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 US disclosed
US-20070219205-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-20 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 (6 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-20080045570-A1 To treat autoimmune, inflammatory, proliferative, hyperproliferative,neurodegenerative or immunologically-mediated diseases; useful for the study of kinases in biological and pathological phenomena; study of intracellular signal transduction pathways mediated by such kinases, and comparative evaluation MAP3K1, MAP3K20, MAP3K2 CYP3A4 4883/4885MAPK1 30/4885SMN1; SMN2 1036/4885
US-20150038535-A1 Thiophene-carboxamides useful as inhibitors of protein kinases MAP3K20, ABL1, MAP3K5 CYP3A4 3280/4885MAPK1 208/4885SMN1; SMN2 2508/4885
US-20110178146-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, ABL1, MAP3K5 CYP3A4 3280/4885MAPK1 208/4885SMN1; SMN2 2508/4885
US-20070219205-A1 Thiophene-carboxamides useful as inhibitors of protein kinases MAP3K20, ABL1, MAP3K5 CYP3A4 3280/4885MAPK1 208/4885SMN1; SMN2 2508/4885
US-20110288095-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, ABL1, MAP3K5 CYP3A4 3280/4885MAPK1 208/4885SMN1; SMN2 2508/4885
US-20090286840-A1 Thiophene-carboxamides useful as inhibitors of protein kinases MAP3K20, ABL1, MAP3K5 CYP3A4 3280/4885MAPK1 208/4885SMN1; SMN2 2508/4885

“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.