SCHEMBL4259196

SCHEMBL4259196

COc1cc(Cl)ccc1C(N)=O.O=S(=O)(O)/C=C/c1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.41
FLT4 P35916 2/20 0.41
KDR P35968 2/20 0.41
NFE2L2 Q16236 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.38
AR P10275 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CXCL12 P48061 2/20 0.36
AVPR2 P30518 1/20 0.35
GPR27 Q9NS67 1/20 0.35
POLB P06746 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL4261274 0.87 SMN1; SMN2 (0.38) FLT1FLT4KDRKDM4EKMT2A
SCHEMBL4256345 0.86 ALOX5 (0.42) FLT1FLT4KDRKDM4EALOX5
SCHEMBL27706024 0.86 ALOX5 (0.42) FLT1FLT4KDRKDM4EALOX5
SCHEMBL5417233 0.84 NFE2L2 (0.51) FLT1FLT4KDRNFE2L2ABCG2
SCHEMBL4618224 0.84 NFE2L2 (0.51) FLT1FLT4KDRNFE2L2ABCG2
SCHEMBL5406529 0.84 NFE2L2 (0.57) FLT1FLT4KDRNFE2L2ABCG2
SCHEMBL4264718 0.81 FLT1 (0.54) FLT1FLT4KDRABCG2L3MBTL1
SCHEMBL4261103 0.81 LMNA (0.43) FLT1FLT4KDRNFE2L2KDM4E
SCHEMBL4620520 0.81 NFE2L2 (0.53) FLT1FLT4KDRNFE2L2ABCG2
SCHEMBL4264711 0.81 FLT1 (0.54) FLT1FLT4KDRABCG2L3MBTL1

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 FLT1 2692/4885FLT4 2521/4885KDR 1957/4885

“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.