SCHEMBL4247328

SCHEMBL4247328

O=C(O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.74
PTGS1 P23219 4/20 0.74
PDPK1 O15530 2/20 0.64
MAPT P10636 2/20 0.61
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
NCOR2 Q9Y618 1/20 0.60
CYP2C9 P11712 1/20 0.58
ALOX5 P09917 1/20 0.57
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL14747805 0.95 PTGS2 (0.74) PTGS2PTGS1PDPK1MAPTHDAC3
SCHEMBL15346524 0.90 PDPK1 (0.71) PTGS2PTGS1PDPK1MAPTHDAC3
SCHEMBL29234677 0.88 HDAC3 (0.77) PTGS2PTGS1PDPK1MAPTHDAC3
SCHEMBL4251818 0.88 PTGS2 (0.69) PTGS2PTGS1PDPK1MAPTHDAC3
SCHEMBL2695594 0.87 PDPK1 (0.71) PTGS2PTGS1PDPK1MAPTHDAC3
SCHEMBL21879554 0.87 PTGS1 (0.70) PTGS2PTGS1PDPK1MAPTALOX5
SCHEMBL6451398 0.85 PTGS1 (1.00) PTGS2PTGS1PDPK1MAPTTP53
Carboxylic Acid Metabolite Of Celecoxib SCHEMBL6342903 0.85 PTGS2 (1.00) PTGS2PTGS1PDPK1HDAC3HDAC4
SCHEMBL8925277 0.85 PTGS2 (0.79) PTGS2PTGS1PDPK1HDAC3HDAC4
SCHEMBL8641532 0.85 PTGS2 (0.69) PTGS2PTGS1MAPTHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
EP-1960367-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-08-27 EP disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX PTGS2 158/4885PTGS1 81/4885PDPK1 1947/4885

“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.