SCHEMBL4257073

SCHEMBL4257073

COC(=O)c1cccc(-c2ccc(F)nc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.59
NEK1 Q96PY6 5/20 0.54
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
ERN1 O75460 3/20 0.52
CYP19A1 P11511 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
AXL P30530 1/20 0.51
PLAU P00749 2/20 0.49
PDK2 Q15119 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL5562440 0.84 CDK8 (0.60) CDK8NEK1CA12CA9CA1
SCHEMBL22801121 0.84 MAP4K4 (0.57) CDK8
SCHEMBL11997727 0.83 CDK8 (0.59) CDK8NEK1CA12CA9CA1
SCHEMBL13702140 0.82 ERN1 (0.55) ERN1
SCHEMBL4254452 0.82 KMO (0.59) ERN1AXLPLAUMRGPRX4
SCHEMBL7829981 0.82 ERN1 (0.58) CDK8NEK1CA12CA9CA1
SCHEMBL30790370 0.82 ERN1 (0.58) CDK8NEK1CA12CA9CA1
SCHEMBL67941 0.81 CA12 (0.68) CDK8CA12CA9CA1CA2
SCHEMBL4249762 0.81 CYP11B2 (0.43) CDK8CYP11B2PLAU
SCHEMBL7816934 0.80 CA12 (0.64) CDK8CA12CA9CA1CA2

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 6 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
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
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
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 CDK8 960/4885NEK1 1518/4885CA12 3625/4885

“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.