SCHEMBL4255396

SCHEMBL4255396

Cc1cccc(/C=C/S(=O)(=O)O)n1.NC(=O)c1ccc(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.42
NFE2L2 Q16236 2/20 0.40
AGTR1 P30556 1/20 0.39
JAK2 O60674 4/20 0.39
PARP1 P09874 1/20 0.37
PYGL P06737 1/20 0.37
CD38 P28907 4/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP3A4 P08684 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
SCHEMBL27726828 1.00 TGFBR1 (0.42) TGFBR1NFE2L2AGTR1JAK2PARP1
SCHEMBL27726688 0.88 TGFBR1 (0.41) TGFBR1NFE2L2AGTR1JAK2PARP1
SCHEMBL4256700 0.88 TGFBR1 (0.41) TGFBR1NFE2L2AGTR1JAK2PARP1
SCHEMBL4255223 0.86 TGFBR1 (0.40) TGFBR1JAK2PARP1CD38CYP3A4
SCHEMBL27706050 0.86 TGFBR1 (0.40) TGFBR1JAK2PARP1CD38CYP3A4
SCHEMBL4256576 0.83 GPR52 (0.44) TGFBR1NFE2L2AGTR1JAK2PARP1
SCHEMBL27726718 0.83 GPR52 (0.44) TGFBR1NFE2L2AGTR1JAK2PARP1
SCHEMBL4256234 0.83 NFE2L2 (0.48) NFE2L2
SCHEMBL4255393 0.82 PYGL (0.43) NFE2L2AGTR1PYGL
SCHEMBL4255400 0.82 PYGL (0.43) NFE2L2AGTR1PYGL

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 TGFBR1 952/4885NFE2L2 270/4885AGTR1 238/4885

“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.