SCHEMBL4256676

SCHEMBL4256676

Cc1ccc(C(N)=O)c(Br)c1.O=S(=O)(O)/C=C/c1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.39
BTK Q06187 1/20 0.36
NLRP3 Q96P20 1/20 0.35
GUSB P08236 1/20 0.34
ERN1 O75460 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
JAK2 O60674 1/20 0.31
EGFR P00533 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL4256613 0.88 ALOX5 (0.44) ALOX5BTKNLRP3GUSBKDM4E
SCHEMBL27706051 0.88 ALOX5 (0.44) ALOX5BTKNLRP3GUSBKDM4E
SCHEMBL5536783 0.86 ALOX5 (0.36) ALOX5NLRP3GUSBERN1PTGES2
SCHEMBL4261561 0.86 ALOX5 (0.36) ALOX5NLRP3GUSBERN1PTGES2
SCHEMBL4261256 0.84 ALOX5 (0.42) ALOX5BTKNLRP3GUSBSMN1; SMN2
SCHEMBL27738925 0.83 SMN1; SMN2 (0.46) ERN1KDM4EPTGES2SMN1; SMN2NPC1
SCHEMBL5416951 0.83 SMN1; SMN2 (0.46) ERN1KDM4EPTGES2SMN1; SMN2NPC1
SCHEMBL4262692 0.81 CA12 (0.39) ALOX5NLRP3GUSBCA12CA9
SCHEMBL5417390 0.80 PTGES2 (0.50) KDM4EPTGES2SMN1; SMN2NPC1RAB9A
SCHEMBL5415389 0.80 PTGS2 (0.39) GUSBERN1PTGES2PTGS2

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 641/4885BTK 2847/4885NLRP3 1732/4885

“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.