SCHEMBL4256576

SCHEMBL4256576

Cc1cc(Cl)ccc1C(N)=O.Cc1cccc(/C=C/S(=O)(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.44
TGFBR1 P36897 4/20 0.43
AGTR1 P30556 1/20 0.42
NFE2L2 Q16236 2/20 0.41
JAK2 O60674 1/20 0.40
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CD38 P28907 4/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SORT1 Q99523 1/20 0.38
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL27726718 1.00 GPR52 (0.44) GPR52TGFBR1AGTR1NFE2L2JAK2
SCHEMBL4261806 0.85 NFE2L2 (0.50) GPR52AGTR1NFE2L2MEN1KMT2A
SCHEMBL27726828 0.83 TGFBR1 (0.42) TGFBR1AGTR1NFE2L2JAK2CD38
SCHEMBL4255396 0.83 TGFBR1 (0.42) TGFBR1AGTR1NFE2L2JAK2CD38
SCHEMBL27717781 0.82 CYP1A2 (0.46) GPR52NFE2L2MEN1KMT2AALDH1A1
SCHEMBL5417301 0.82 CYP1A2 (0.46) GPR52NFE2L2MEN1KMT2AALDH1A1
SCHEMBL27738953 0.80 PTGS2 (0.43) GPR52NFE2L2MEN1KMT2AALDH1A1
SCHEMBL5415469 0.80 PTGS2 (0.43) GPR52NFE2L2MEN1KMT2AALDH1A1
SCHEMBL4262689 0.80 FLT1 (0.50) AGTR1NFE2L2MEN1POLBKMT2A
SCHEMBL4262696 0.80 FLT1 (0.50) AGTR1NFE2L2MEN1POLBKMT2A

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 GPR52 1482/4885TGFBR1 952/4885AGTR1 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.