SCHEMBL332822

SCHEMBL332822

C[C@H]1C[C@@](C(N)=O)(c2cccc(Sc3ccc(-c4ccnn4C)cc3)c2)CCO1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.63
PIK3CD O00329 2/20 0.36
ABL1 P00519 1/20 0.33
AKT1 P31749 2/20 0.32
CD274 Q9NZQ7 1/20 0.32
JAK3 P52333 4/20 0.32
JAK1 P23458 3/20 0.31
FFAR2 O15552 1/20 0.31
P2RX7 Q99572 1/20 0.31
CYP11B2 P19099 1/20 0.31
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 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
SCHEMBL332922 0.88 ALOX5 (0.48) ALOX5PIK3CDAKT1
Pf-4191834 SCHEMBL332973 0.88 ALOX5 (0.81) ALOX5PIK3CDABL1AKT1CD274
Pf-4191834 SCHEMBL29369341 0.88 ALOX5 (0.81) ALOX5PIK3CDABL1AKT1CD274
SCHEMBL332120 0.88 ALOX5 (0.61) ALOX5ABL1AKT1CD274JAK3
SCHEMBL332790 0.86 ALOX5 (0.47) ALOX5
SCHEMBL332034 0.85 ALOX5 (0.60) ALOX5PIK3CDABL1AKT1CD274
SCHEMBL15803498 0.84 ALOX5 (0.68) ALOX5PIK3CDABL1AKT1CD274
SCHEMBL332829 0.83 ALOX5 (0.46) ALOX5
SCHEMBL332552 0.82 ALOX5 (0.55) ALOX5PIK3CDABL1AKT1CD274
SCHEMBL333240 0.80 ALOX5 (0.43) ALOX5PIK3CD

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 1/4885PIK3CD 1305/4885ABL1 2264/4885

“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.