SCHEMBL4684079

SCHEMBL4684079

CS(=O)(=O)c1nccc(-c2c(-c3ccc(F)cc3)noc2CBr)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.46
MAPK14 Q16539 4/20 0.40
MAPK9 P45984 2/20 0.40
MAPK10 P53779 2/20 0.40
MAPK11 Q15759 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
STAT3 P40763 1/20 0.38
STAT1 P42224 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR9 Q9NR96 1/20 0.38
CSNK1D P48730 1/20 0.36

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
SCHEMBL4677531 0.89 PTGS2 (0.46) PTGS2MAPK14MAPK9MAPK10MAPK11
SCHEMBL4681320 0.85 PTGS2 (0.43) PTGS2MAPK14MAPK9MAPK10MAPK11
SCHEMBL4679983 0.83 MAPK10 (0.43) PTGS2MAPK14MAPK10MAPK11
SCHEMBL4681547 0.82 PTGS2 (0.41) PTGS2MAPK14MAPK10
SCHEMBL2410945 0.75 RAB9A (0.56) PTGS2KDM4EMITFALDH1A1LMNA
SCHEMBL4409899 0.73 ALDH1A1 (0.40) PTGS2MAPK14MAPK11KDM4EMITF
SCHEMBL4680544 0.71 PTGS2 (0.48) PTGS2MAPK14MAPK9MAPK10MAPK11
SCHEMBL23795646 0.69 MAPK14 (0.49) MAPK14MAPK11CSNK1D
SCHEMBL29841886 0.69 MAPK14 (0.49) MAPK14MAPK11CSNK1D
SCHEMBL14593063 0.69 GSK3B (0.55) PTGS2MAPK14MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218369-B1 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2008-07-23 EP disclosed
US-7169798-B2 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-30 US disclosed
EP-1218369-A4 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2005-06-22 EP disclosed
US-20050026967-A1 Inhibitors of c-jun N terminal kinases (JNK) and other protein kinases GREEN JEREMY (US) 2005-02-03 US disclosed
US-6693108-B2 PYRIMIDINYL-GUANIDINE DERIVATIVES VERTEX PHARMACEUTICALS INCORPORATED 2004-02-17 US disclosed
US-20030149051-A1 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases VERTX PHARMACEUTICALS INCORPORATED 2003-08-07 US disclosed
EP-1218369-A1 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-07-03 EP disclosed
WO-2001012621-A1 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-02-22 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 (2 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-20030149051-A1 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases MAPK1, PACSIN2, MAP3K1 PTGS2 851/4885MAPK14 48/4885MAPK9 65/4885
US-20050026967-A1 Inhibitors of c-jun N terminal kinases (JNK) and other protein kinases MAP3K2, CSNK1G2, MAP3K5 PTGS2 461/4885MAPK14 43/4885MAPK9 47/4885

“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.