SCHEMBL13701734

SCHEMBL13701734

CC(C)(C)NC(=O)c1ccc(F)c(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 4/20 0.46
S1PR1 P21453 2/20 0.45
ANO1 Q5XXA6 4/20 0.44
LRRK2 Q5S007 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
S1PR4 O95977 1/20 0.42
GRM4 Q14833 1/20 0.42
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
VNN1 O95497 1/20 0.42
MAPT P10636 1/20 0.42
TRPA1 O75762 1/20 0.40

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
SCHEMBL6417118 0.88 S1PR3 (0.54) S1PR3S1PR1TRPA1
SCHEMBL3821201 0.83 S1PR3 (0.47) S1PR3S1PR1LRRK2S1PR4GRM4
SCHEMBL6416168 0.80 CHRNA1 (0.57) ANO1POLBAPEX1MAPT
SCHEMBL22099996 0.80 S1PR3 (0.54) S1PR3S1PR1LRRK2S1PR4
SCHEMBL3612508 0.80 VNN1 (0.47) S1PR3S1PR1S1PR4GRM4POLB
SCHEMBL13701824 0.79 LRRK2 (0.54) S1PR3ANO1LRRK2POLBVNN1
SCHEMBL13702420 0.79 VNN1 (0.44) S1PR3S1PR1LRRK2S1PR4GRM4
SCHEMBL22099891 0.79 S1PR3 (0.56) S1PR3S1PR1LRRK2S1PR4POLB
SCHEMBL3616560 0.78 TRPA1 (0.51) S1PR3S1PR1S1PR4GRM4VNN1
SCHEMBL18013247 0.78 ACLY (0.46) S1PR3S1PR1S1PR4GRM4VNN1

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 2 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

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 S1PR3 509/4885S1PR1 750/4885ANO1 4532/4885

“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.