Sugi Predict

Sugi Predict / Compounds / SCHEMBL4255148

SCHEMBL4255148

SCHEMBL4255148

NC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F.O=S(=O)(O)/C=C/c1csc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.39
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ GPR52 Q9Y2T5 1/20 0.36
▸ AVPR2 P30518 1/20 0.36
▸ GPR27 Q9NS67 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ CYP2A6 P11509 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MCHR1 Q99705 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34

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
SCHEMBL4267080 0.90 PTGS1 (0.37) PTGS1PTGS2MAOBCYP2A6FLT4
SCHEMBL4255232 0.83 FLT1 (0.46) CES2PTGS1PTGS2AVPR2GPR27
SCHEMBL5409657 0.81 CES2 (0.43) CES2GPR52AVPR2GPR27FLT1
SCHEMBL5407610 0.80 CES2 (0.47) CES2PTGS2GPR52AVPR2GPR27
SCHEMBL4256645 0.79 PTGS1 (0.39) PTGS1PTGS2MAOBCYP2A6CA1
SCHEMBL4260387 0.79 PTGS1 (0.40) PTGS1PTGS2MAOBCYP2A6FLT1
SCHEMBL4258640 0.79 CES2 (0.43) CES2PTGS1PTGS2GPR52AVPR2
SCHEMBL4256579 0.78 PTGS1 (0.38) PTGS1PTGS2MAOBCYP2A6CA1
SCHEMBL5411412 0.78 NFE2L2 (0.44) CES2AVPR2GPR27MAOBMAPT
SCHEMBL4260382 0.76 CES2 (0.43) CES2GPR52AVPR2GPR27FLT1

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 CES2 411/4885PTGS1 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.