SCHEMBL319681

SCHEMBL319681

OCc1ccc(C(F)(F)F)cc1-c1ccnnc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
SCN9A Q15858 13/20 0.38
FPR2 P25090 1/20 0.38
GRM5 P41594 1/20 0.38
KIF11 P52732 1/20 0.37
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP2C9 P11712 3/20 0.36
SCN5A Q14524 2/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
EPHX2 P34913 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL14892626 0.93 S1PR1 (0.39) S1PR1LTB4RLTB4R2SCN9AFPR2
SCHEMBL15599251 0.87 S1PR1 (0.42) S1PR1SCN9AFPR2CYP2C9SCN5A
SCHEMBL320897 0.87 S1PR1 (0.42) S1PR1SCN9AFPR2KIF11CYP2C9
SCHEMBL5785534 0.86 KIF11 (0.53) S1PR1LTB4RLTB4R2SCN9AKIF11
SCHEMBL12505757 0.84 WNT3A (0.42) LTB4RLTB4R2EPHX2
SCHEMBL320908 0.80 S1PR1 (0.46) S1PR1SCN9AFPR2KIF11CYP2C9
SCHEMBL320085 0.78 SCN9A (0.44) S1PR1SCN9AFPR2KIF11CYP2C9
SCHEMBL20403726 0.78 S1PR1 (0.44) S1PR1SCN9AFPR2KIF11CYP2C9
SCHEMBL17248009 0.78 S1PR1 (0.44) S1PR1SCN9AFPR2KIF11CYP2C9
SCHEMBL29131926 0.78 ALOX5AP (0.50) S1PR1SCN9AFPR2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096558-B2 N-sulfonylbenzamide compounds PFIZER LIMITED (GB) 2015-08-04 US disclosed
US-9096558-B2 N-sulfonylbenzamide compounds PFIZER LIMITED (GB) 2015-08-04 US disclosed
US-9096558-B2 N-sulfonylbenzamide compounds PFIZER LIMITED (GB) 2015-08-04 US disclosed
EP-2590957-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-12 EP disclosed
EP-2590957-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2013-05-15 EP disclosed
US-20130109696-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20130109696-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20130109696-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
WO-2012004714-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
WO-2012004714-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-12 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-20130109696-A1 Chemical Compounds SCN1A, SCN7A, SCN1B S1PR1 1032/4885LTB4R 1512/4885LTB4R2 1525/4885

“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.