SCHEMBL4258596

SCHEMBL4258596

NC(=O)c1ccc(F)cc1C(F)(F)F.O=S(=O)(O)/C=C/c1ccsc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
NLRP3 Q96P20 1/20 0.34
IDH2 P48735 1/20 0.34
GUSB P08236 1/20 0.33
WDR5 P61964 3/20 0.33
PTGES O14684 1/20 0.33
KCNH2 Q12809 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATM Q13315 1/20 0.32
PTGES2 Q9H7Z7 2/20 0.31

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
SCHEMBL27706022 1.00 ALOX5 (0.34) ALOX5HTR2AHTR2CNLRP3IDH2
SCHEMBL4253756 0.89 CES2 (0.43) ALOX5NLRP3GUSBKMT2AMEN1
SCHEMBL4256668 0.85 ALOX5 (0.36) ALOX5HTR2AHTR2CNLRP3GUSB
SCHEMBL27706116 0.85 ALOX5 (0.36) ALOX5HTR2AHTR2CNLRP3GUSB
SCHEMBL5536783 0.84 ALOX5 (0.36) ALOX5HTR2AHTR2CNLRP3GUSB
SCHEMBL4261561 0.84 ALOX5 (0.36) ALOX5HTR2AHTR2CNLRP3GUSB
SCHEMBL4620011 0.84 HTR2A (0.41) HTR2AHTR2CKCNH2KMT2AMEN1
SCHEMBL27717789 0.84 HTR2A (0.41) HTR2AHTR2CKCNH2KMT2AMEN1
SCHEMBL5418921 0.83 PTGES2 (0.47) HTR2AHTR2CKCNH2PTGES2
SCHEMBL27717780 0.83 PTGES2 (0.47) HTR2AHTR2CKCNH2PTGES2

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 ALOX5 641/4885HTR2A 871/4885HTR2C 314/4885

“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.