SCHEMBL4261256

SCHEMBL4261256

Cc1cc(Br)ccc1C(N)=O.O=S(=O)(O)/C=C/c1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.42
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
NLRP3 Q96P20 1/20 0.37
DGAT1 O75907 1/20 0.36
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
GUSB P08236 1/20 0.34
PTGS2 P35354 1/20 0.33
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GPR27 Q9NS67 1/20 0.32
RAB9A P51151 1/20 0.32
BTK Q06187 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
MAPT P10636 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
SCHEMBL27706051 0.88 ALOX5 (0.44) ALOX5NLRP3GUSBPTGS2NPC1
SCHEMBL4256613 0.88 ALOX5 (0.44) ALOX5NLRP3GUSBPTGS2NPC1
SCHEMBL4262692 0.87 CA12 (0.39) ALOX5CA12CA9NLRP3DGAT1
SCHEMBL27706024 0.86 ALOX5 (0.42) ALOX5NLRP3FLT1FLT4KDR
SCHEMBL4256345 0.86 ALOX5 (0.42) ALOX5NLRP3FLT1FLT4KDR
SCHEMBL4256676 0.84 ALOX5 (0.39) ALOX5CA12CA9NLRP3GUSB
SCHEMBL5411190 0.83 PTGS2 (0.43) ALOX5CA12CA9DGAT1FLT1
SCHEMBL27739136 0.83 PTGS2 (0.43) ALOX5CA12CA9DGAT1FLT1
SCHEMBL5416906 0.80 PTGS2 (0.41) CA12CA9DGAT1FLT1FLT4
SCHEMBL5423015 0.80 STAT3 (0.45) CA12CA9FLT1FLT4KDR

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 641/4885CA12 4435/4885CA9 3920/4885

“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.