SCHEMBL4259085

SCHEMBL4259085

Cc1ccc(C(N)=O)c(Br)c1.O=S(=O)(O)/C=C/c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
NFE2L2 Q16236 5/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
NAMPT P43490 4/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL27726714 1.00 ALOX5 (0.41) ALOX5PTGS1PTGS2NFE2L2MKNK1
SCHEMBL4260436 0.89 MKNK1 (0.51) ALOX5PTGS1PTGS2NFE2L2MKNK1
SCHEMBL27706034 0.89 MKNK1 (0.51) ALOX5PTGS1PTGS2NFE2L2MKNK1
SCHEMBL5416951 0.86 SMN1; SMN2 (0.46) PTGS2NFE2L2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL27738925 0.86 SMN1; SMN2 (0.46) PTGS2NFE2L2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL27706028 0.85 MKNK1 (0.49) ALOX5PTGS1PTGS2NFE2L2MKNK1
SCHEMBL4255157 0.85 MKNK1 (0.49) ALOX5PTGS1PTGS2NFE2L2MKNK1
SCHEMBL5417390 0.82 PTGES2 (0.50) NFE2L2ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL27717787 0.82 PTGES2 (0.50) NFE2L2ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL4255145 0.81 MKNK1 (0.50) NFE2L2MKNK1MKNK2NAMPTALDH1A1

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-1904471-B1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-10-21 EP claimed
CN-101208325-A Heteroarylvinyl derivatives, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-06-25 CN claimed
US-7208506-B2 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US claimed
US-20070010564-A1 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2007-01-11 US claimed
EP-1904471-B1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-10-21 EP disclosed
CN-101208325-A Heteroarylvinyl derivatives, their preparation and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-06-25 CN disclosed
US-7208506-B2 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
US-20070010564-A1 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2007-01-11 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 (1 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-20070010564-A1 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents CYP3A43, CYP1A1, CYP3A5 ALOX5 641/4885PTGS1 285/4885PTGS2 550/4885

“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.