SCHEMBL333542

SCHEMBL333542

NC(=O)C1(c2cccc(Sc3ccc(Br)cc3Cl)c2)CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.56
ITGB2 P05107 2/20 0.40
ICAM1 P05362 2/20 0.40
ITGAL P20701 2/20 0.40
P2RX7 Q99572 1/20 0.35
PDE7A Q13946 1/20 0.34
MAPT P10636 1/20 0.34
HDAC1 Q13547 2/20 0.34
PIK3CD O00329 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
LDHA P00338 1/20 0.32
HDAC3 O15379 1/20 0.32

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
SCHEMBL332209 0.80 ALOX5 (0.61) ALOX5ITGB2ICAM1ITGALP2RX7
SCHEMBL332888 0.79 ALOX5 (0.58) ALOX5ITGB2ICAM1ITGALP2RX7
SCHEMBL332753 0.79 ALOX5 (0.50) ALOX5MAPTHDAC1PIK3CDHDAC3
SCHEMBL13807210 0.77 ALOX5 (0.48) ALOX5ITGB2ICAM1ITGALPIK3CD
SCHEMBL13201380 0.75 ALOX5 (0.58) ALOX5MAPTPIK3CDHRH3ALDH1A1
SCHEMBL7654887 0.75 ALOX5 (0.68) ALOX5HDAC1PIK3CDHDAC3HDAC2
SCHEMBL332843 0.75 ALOX5 (0.52) ALOX5MAPTHDAC1PIK3CDHRH3
SCHEMBL332226 0.73 ALOX5 (0.66) ALOX5MAPTHDAC1PIK3CDHRH3
SCHEMBL7809017 0.72 ALOX5 (1.00) ALOX5HDAC1PIK3CDPTPN11HRH3
SCHEMBL19331280 0.71 ALOX5 (0.43) ALOX5MAPTHDAC1PIK3CDHDAC3

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 4 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
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
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 1/4885ITGB2 3425/4885ICAM1 2478/4885

“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.