SCHEMBL4265100

SCHEMBL4265100

O=C(NS(=O)(=O)C=Cc1cccnc1)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.47
ALDH1A1 P00352 1/20 0.46
NAMPT P43490 10/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.40
AURKA O14965 1/20 0.40
CHEK2 O96017 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
FLT4 P35916 1/20 0.40
ABL2 P42684 1/20 0.40
BLK P51451 1/20 0.40
LIMK1 P53667 1/20 0.40
AURKB Q96GD4 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
PTGS2 P35354 2/20 0.38
ALOX5 P09917 1/20 0.38
PTGS1 P23219 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
SCHEMBL4265094 1.00 NFE2L2 (0.47) NFE2L2ALDH1A1NAMPTMEN1KMT2A
SCHEMBL4262721 0.90 FLT1 (0.47) NFE2L2NAMPTFLT4
SCHEMBL4620007 0.87 KMT2A (0.47) ALDH1A1MEN1KMT2AAURKACHEK2
SCHEMBL4620014 0.87 KMT2A (0.47) ALDH1A1MEN1KMT2AAURKACHEK2
SCHEMBL4262715 0.85 NFE2L2 (0.49) NFE2L2ALDH1A1NAMPTMEN1KMT2A
SCHEMBL4262710 0.85 NFE2L2 (0.49) NFE2L2ALDH1A1NAMPTMEN1KMT2A
SCHEMBL4258583 0.85 NFE2L2 (0.45) NFE2L2ALDH1A1NAMPTMEN1KMT2A
SCHEMBL5408893 0.82 PTGES2 (0.50) NFE2L2AURKACHEK2CSF1RRET
SCHEMBL5408883 0.82 PTGES2 (0.50) NFE2L2AURKACHEK2CSF1RRET
SCHEMBL5418925 0.81 PTGES2 (0.52) FLT4PTGS1

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 NFE2L2 270/4885ALDH1A1 148/4885NAMPT 2759/4885

“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.