SCHEMBL333246

SCHEMBL333246

Cn1nccc1-c1ccc(Sc2c(F)ccc(C3(C#N)CCOCC3)c2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
NAAA Q02083 1/20 0.35
OTUD7B Q6GQQ9 3/20 0.33
USP30 Q70CQ3 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ICMT O60725 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
SCHEMBL332890 0.88 ALOX5 (0.38) ALOX5NAAAOTUD7B
SCHEMBL3660567 0.84 ALOX5 (0.46) ALOX5NAAAOTUD7BUSP30CD274
SCHEMBL332778 0.81 ALOX5 (0.67) ALOX5USP30CD274
SCHEMBL332920 0.76 ALOX5 (0.36) ALOX5NAAAOTUD7BUSP30ICMT
SCHEMBL332725 0.75 ALOX5 (0.53) ALOX5NAAAOTUD7BUSP30CD274
SCHEMBL12156883 0.73 ALOX5 (0.38) ALOX5NAAAOTUD7B
SCHEMBL332739 0.73 ALOX5 (0.38) ALOX5NAAAOTUD7B
SCHEMBL332455 0.72 ALOX5 (0.55) ALOX5CD274
SCHEMBL3655644 0.72 ALOX5 (0.42) ALOX5NAAAOTUD7BUSP30
SCHEMBL332825 0.71 ALOX5 (0.49) ALOX5NAAAICMT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 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-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors ALOX5, ALOX15, CYP3A5 ALOX5 1/4885NAAA 2503/4885OTUD7B 3963/4885

“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.