SCHEMBL4514672

SCHEMBL4514672

Cc1cc(OCc2coc(C=Cc3ccc(OC(F)(F)F)cc3)n2)ccc1C[S+]([O-])CCc1ccnn1C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 11/20 0.40
MINK1 Q8N4C8 1/20 0.40
ALOX5AP P20292 1/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL4514666 1.00 ERBB2 (0.40) ERBB2MINK1ALOX5APPPARD
SCHEMBL4523205 0.93 ERBB2 (0.48) ERBB2MINK1
SCHEMBL4523211 0.93 ERBB2 (0.48) ERBB2MINK1
SCHEMBL4513523 0.90 ERBB2 (0.37) ERBB2MINK1
SCHEMBL4513526 0.90 ERBB2 (0.37) ERBB2MINK1
SCHEMBL4500216 0.89 ERBB2 (0.48) ERBB2MINK1
SCHEMBL4500213 0.89 ERBB2 (0.48) ERBB2MINK1
SCHEMBL4515219 0.87 ERBB2 (0.42) ERBB2MINK1ALOX5APPPARD
SCHEMBL4515224 0.87 ERBB2 (0.42) ERBB2MINK1ALOX5APPPARD
SCHEMBL4605656 0.85 ERBB2 (0.53) ERBB2MINK1ALOX5APPPARD

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
US-20090264485-A1 Pyrazole Derivatives, Their Manufacture and Their Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 US claimed
EP-1915370-A1 PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND THEIR USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-30 EP claimed
WO-2007017222-A1 PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO claimed
US-20090264485-A1 Pyrazole Derivatives, Their Manufacture and Their Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 US disclosed
EP-1915370-A1 PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND THEIR USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-30 EP disclosed
WO-2007017222-A1 PYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO 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-20090264485-A1 Pyrazole Derivatives, Their Manufacture and Their Use as Pharmaceutical Agents CYP3A5, CYP3A43, CYP3A7 ERBB2 3732/4885MINK1 1721/4885ALOX5AP 1667/4885

“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.