SCHEMBL4255223

SCHEMBL4255223

Cc1cccc(/C=C/S(=O)(=O)O)n1.NC(=O)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.40
GPR52 Q9Y2T5 1/20 0.39
JAK2 O60674 5/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CD38 P28907 4/20 0.38
CYP3A4 P08684 2/20 0.38
KCNH2 Q12809 1/20 0.38
PTGES O14684 1/20 0.37
SORT1 Q99523 1/20 0.35
PARP1 P09874 1/20 0.35
SCN9A Q15858 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
SCHEMBL27706050 1.00 TGFBR1 (0.40) TGFBR1GPR52JAK2HCRTR1HCRTR2
SCHEMBL4260067 0.90 GPR52 (0.45) TGFBR1GPR52JAK2CD38CYP3A4
SCHEMBL27726828 0.86 TGFBR1 (0.42) TGFBR1JAK2CD38CYP3A4PARP1
SCHEMBL4255396 0.86 TGFBR1 (0.42) TGFBR1JAK2CD38CYP3A4PARP1
SCHEMBL27726688 0.85 TGFBR1 (0.41) TGFBR1GPR52JAK2CD38CYP3A4
SCHEMBL4256700 0.85 TGFBR1 (0.41) TGFBR1GPR52JAK2CD38CYP3A4
SCHEMBL4253725 0.84 NFE2L2 (0.46) PTGES
SCHEMBL4255228 0.82 SORT1 (0.42) HCRTR1HCRTR2PTGESSORT1SCN9A
SCHEMBL4255220 0.82 SORT1 (0.42) HCRTR1HCRTR2PTGESSORT1SCN9A
SCHEMBL4620011 0.79 HTR2A (0.41) KCNH2

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 10 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
EP-1904471-A1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-02 EP disclosed
US-7208506-B2 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
WO-2007006459-A1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO 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 TGFBR1 952/4885GPR52 1482/4885JAK2 684/4885

“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.