SCHEMBL332455

SCHEMBL332455

C[C@H]1C[C@@](C(N)=O)(c2ccc(F)c(Sc3ccc(-c4ccnn4C)cc3)c2F)CCO1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.55
AKT1 P31749 4/20 0.32
AKT2 P31751 3/20 0.32
CD274 Q9NZQ7 1/20 0.31
SGK1 O00141 2/20 0.30
RPS6KB1 P23443 2/20 0.30
PRKCQ Q04759 2/20 0.30
ROCK1 Q13464 2/20 0.30
RPS6KA1 Q15418 2/20 0.30
AKT3 Q9Y243 2/20 0.30
ROCK2 O75116 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 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
SCHEMBL332778 0.89 ALOX5 (0.67) ALOX5AKT1AKT2CD274SGK1
SCHEMBL332552 0.87 ALOX5 (0.55) ALOX5AKT1CD274JAK1JAK3
SCHEMBL332034 0.85 ALOX5 (0.60) ALOX5AKT1AKT2CD274SGK1
SCHEMBL332120 0.82 ALOX5 (0.61) ALOX5AKT1AKT2CD274JAK1
SCHEMBL332890 0.81 ALOX5 (0.38) ALOX5
SCHEMBL332822 0.80 ALOX5 (0.63) ALOX5AKT1CD274JAK1JAK3
SCHEMBL333249 0.80 ALOX5 (0.45) ALOX5AKT1AKT2SGK1RPS6KB1
SCHEMBL332793 0.79 ALOX5 (0.42) ALOX5AKT1AKT2
SCHEMBL332922 0.76 ALOX5 (0.48) ALOX5AKT1AKT2
SCHEMBL332469 0.75 ALOX5 (0.47) ALOX5AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225229-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS Pfizer Inc. (US) 2010-09-08 EP claimed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US claimed
WO-2009069044-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS PFIZER INC. (US) 2009-06-04 WO claimed
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 3057/4885AKT2 3331/4885

“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.