SCHEMBL333238

SCHEMBL333238

NC(=O)C1(c2cc(F)cc(Br)c2F)CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.36
ALOX5 P09917 3/20 0.35
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC4 P56524 1/20 0.33
THRB P10828 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
P2RX7 Q99572 1/20 0.31
PARP1 P09874 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL333035 0.80 HDAC4 (0.40) OPRL1ALOX5HDAC4THRBHRH3
SCHEMBL17025863 0.77 HDAC3 (0.46) OPRL1HDAC3HDAC1HDAC2HDAC6
SCHEMBL332275 0.75 ALOX5 (0.47) OPRL1ALOX5HDAC3HDAC1HDAC2
SCHEMBL2702113 0.74 OPRL1 (0.45) OPRL1HDAC3HDAC1HDAC2HDAC6
SCHEMBL332777 0.71 MAP3K12 (0.30)
SCHEMBL7807428 0.71 ALOX5 (0.47) OPRL1ALOX5HDAC3HDAC1HDAC2
SCHEMBL7814866 0.69 CYP3A4 (0.36) OPRL1ALOX5HDAC3HDAC1HDAC2
SCHEMBL2701756 0.69 ALOX5 (0.49) OPRL1ALOX5HDAC3HDAC1HDAC2
SCHEMBL22089794 0.69 APP (0.38) OPRL1ALOX5HDAC3HDAC1HDAC2
SCHEMBL7807653 0.69 LPAR1 (0.38) HDAC4ALDH1A1LMNAMEN1KMT2A

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 OPRL1 2299/4885ALOX5 1/4885HDAC3 2300/4885

“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.