SCHEMBL4255232

SCHEMBL4255232

O=C(NS(=O)(=O)/C=C/c1csc2ccccc12)c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
AVPR2 P30518 1/20 0.42
GPR27 Q9NS67 1/20 0.42
CES2 O00748 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAOB P27338 1/20 0.36
USP2 O75604 3/20 0.35
USP8 P40818 3/20 0.35
CYP2A6 P11509 1/20 0.35
SLC6A9 P48067 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 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
SCHEMBL4264014 0.90 PTGES2 (0.40) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL4267076 0.90 PTGES2 (0.40) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL4255148 0.83 CES2 (0.39) FLT1FLT4KDRAVPR2GPR27
SCHEMBL5409663 0.81 FLT1 (0.55) FLT1FLT4KDRAVPR2GPR27
SCHEMBL5407613 0.81 FLT1 (0.53) FLT1FLT4KDRAVPR2GPR27
SCHEMBL4267548 0.79 FLT1 (0.49) FLT1FLT4KDRAVPR2GPR27
SCHEMBL5411415 0.79 FLT1 (0.47) FLT1FLT4KDRAVPR2GPR27
SCHEMBL4256607 0.78 KMT2A (0.41) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL4260199 0.78 MAPT (0.39) CA1CA2CA9PTGS1PTGS2
SCHEMBL4256644 0.78 KMT2A (0.41) FLT1FLT4KDRPTGS1PTGS2

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 6 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
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
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 FLT1 2692/4885FLT4 2521/4885KDR 1957/4885

“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.