SCHEMBL4267076

SCHEMBL4267076

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 4/20 0.40
MAPT P10636 3/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
FLT4 P35916 2/20 0.37
AURKA O14965 1/20 0.37
CHEK2 O96017 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
ABL2 P42684 1/20 0.37
BLK P51451 1/20 0.37
LIMK1 P53667 1/20 0.37
AURKB Q96GD4 1/20 0.37
MAOB P27338 2/20 0.36
CYP2A6 P11509 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 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 1.00 PTGES2 (0.40) PTGES2MAPTPTGS1PTGS2FLT4
SCHEMBL4255232 0.90 FLT1 (0.46) MAPTPTGS1PTGS2FLT4MAOB
SCHEMBL4256644 0.86 KMT2A (0.41) MAPTPTGS1PTGS2FLT4MAOB
SCHEMBL4260203 0.86 MAPT (0.39) PTGES2MAPTPTGS1PTGS2MAOB
SCHEMBL4256607 0.86 KMT2A (0.41) MAPTPTGS1PTGS2FLT4MAOB
SCHEMBL4260199 0.86 MAPT (0.39) PTGES2MAPTPTGS1PTGS2MAOB
SCHEMBL4267080 0.83 PTGS1 (0.37) PTGES2MAPTPTGS1PTGS2FLT4
SCHEMBL5404086 0.81 PTGES2 (0.45) PTGES2MAPTFLT4AURKACHEK2
SCHEMBL5404078 0.81 PTGES2 (0.45) PTGES2MAPTFLT4AURKACHEK2
SCHEMBL4620014 0.81 KMT2A (0.47) PTGES2FLT4AURKACHEK2CSF1R

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 PTGES2 445/4885MAPT 4626/4885PTGS1 285/4885

“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.