SCHEMBL3655644

SCHEMBL3655644

C[C@H]1C[C@@](C#N)(c2ccc(F)c(Sc3ccc(-c4ccnn4C)cc3)c2)CCO1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
AKT1 P31749 2/20 0.32
USP30 Q70CQ3 1/20 0.32
LRRK2 Q5S007 1/20 0.32
NAAA Q02083 1/20 0.30
OTUD7B Q6GQQ9 3/20 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
SCHEMBL332345 0.85 ALOX5 (0.42) ALOX5AKT1USP30LRRK2NAAA
SCHEMBL333240 0.85 ALOX5 (0.43) ALOX5USP30NAAAOTUD7B
SCHEMBL332890 0.83 ALOX5 (0.38) ALOX5NAAAOTUD7B
SCHEMBL12156883 0.83 ALOX5 (0.38) ALOX5NAAAOTUD7B
SCHEMBL332739 0.83 ALOX5 (0.38) ALOX5NAAAOTUD7B
SCHEMBL332034 0.81 ALOX5 (0.60) ALOX5AKT1USP30
SCHEMBL332729 0.79 ALOX5 (0.32) ALOX5
SCHEMBL333592 0.76 ALOX5 (0.32) ALOX5AKT1
SCHEMBL333273 0.76 ALOX5 (0.35) ALOX5
SCHEMBL332825 0.76 ALOX5 (0.49) ALOX5LRRK2NAAA

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-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
US-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-2225229-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS Pfizer Inc. (US) 2010-09-08 EP disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US disclosed
WO-2009069044-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS PFIZER INC. (US) 2009-06-04 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-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors ALOX5, ALOX15, CYP3A5 ALOX5 1/4885AKT1 3057/4885USP30 2682/4885

“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.