SCHEMBL332920

SCHEMBL332920

Cn1nccc1-c1ccc(Sc2cccc(C3(C#N)CCOCC3)c2F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
ICMT O60725 3/20 0.35
OTUD7B Q6GQQ9 3/20 0.35
PIK3CD O00329 2/20 0.34
USP30 Q70CQ3 2/20 0.33
BACE1 P56817 2/20 0.32
HDAC4 P56524 1/20 0.32
NAAA Q02083 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
ABL1 P00519 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30
AKT1 P31749 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
SCHEMBL15803495 0.93 ICMT (0.35) ALOX5ICMTOTUD7BUSP30BACE1
SCHEMBL332241 0.89 ICMT (0.33) ICMTOTUD7BUSP30NAAA
SCHEMBL3660567 0.88 ALOX5 (0.46) ALOX5ICMTOTUD7BPIK3CDUSP30
SCHEMBL332739 0.77 ALOX5 (0.38) ALOX5OTUD7BNAAA
SCHEMBL12156883 0.77 ALOX5 (0.38) ALOX5OTUD7BNAAA
SCHEMBL333246 0.76 ALOX5 (0.46) ALOX5ICMTOTUD7BUSP30NAAA
SCHEMBL333249 0.74 ALOX5 (0.45) ALOX5PIK3CDHDAC4ABL1AKT1
SCHEMBL332891 0.73
SCHEMBL332725 0.71 ALOX5 (0.53) ALOX5OTUD7BPIK3CDUSP30NAAA
SCHEMBL331664 0.70 ALOX5 (0.55) ALOX5PIK3CDHDAC4ABL1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171445-A1 TREATMENT AND PREVENTION OF DISEASES MEDIATED BY MICROORGANISMS VIA DRUG-MEDIATED MANIPULATION OF THE EICOSANOID BALANCE THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-06-19 US disclosed
WO-2013019926-A1 TREATMENT AND PREVENTION OF DISEASES MEDIATED BY MICROORGANISMS VIA DRUG-MEDIATED MANIPULATION OF THE EICOSANOID BALANCE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-02-07 WO disclosed
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
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
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 (2 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 1/4885ICMT 3459/4885OTUD7B 3963/4885
US-20140171445-A1 TREATMENT AND PREVENTION OF DISEASES MEDIATED BY MICROORGANISMS VIA DRUG-MEDIATED MANIPULATION OF THE EICOSANOID BALANCE ALOX5, ALOX15, ALOX15B ALOX5 1/4885ICMT 635/4885OTUD7B 2611/4885

“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.