SCHEMBL979148

SCHEMBL979148

N#Cc1ccc(C(c2ccc(C#N)cc2)N2CC(CS(=O)(=O)Nc3cc(F)cc(C(=O)O)c3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.42
SCN5A Q14524 5/20 0.39
EPHX2 P34913 4/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2J2 P51589 1/20 0.36
P2RY14 Q15391 1/20 0.35
FABP4 P15090 1/20 0.34
SCN7A Q01118 1/20 0.34
MGLL Q99685 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGDR Q13258 1/20 0.33
KAT6A Q92794 1/20 0.33

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
SCHEMBL977228 0.90 PPARA (0.41) SCN9ASCN5AFABP4SCN7AMGLL
SCHEMBL977049 0.88 SCN9A (0.39) SCN9ASCN5AEPHX2CYP2C9CYP2C19
SCHEMBL978278 0.88 FABP4 (0.37) SCN9ASCN5AP2RY14FABP4SCN7A
SCHEMBL974202 0.88 WDR5 (0.41) SCN9ASCN5AFABP4SCN7A
SCHEMBL977212 0.88 MEN1 (0.36) SCN9ASCN5AFABP4SCN7A
SCHEMBL975365 0.86 PPARA (0.45) SCN9ASCN5AP2RY14FABP4
SCHEMBL975579 0.86 SCN9A (0.37) SCN9ASCN5AEPHX2CYP2C9CYP2C19
SCHEMBL975564 0.85 WDR5 (0.39) CYP2C9P2RY14
SCHEMBL977371 0.85 FABP4 (0.41) SCN9ASCN5ACYP2C9CYP2C19FABP4
SCHEMBL975840 0.84 PPARA (0.48) SCN9AEPHX2FABP4

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-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US claimed
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP claimed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 US claimed
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US disclosed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 US disclosed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 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 (2 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-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SCN9A 694/4885SCN5A 1745/4885EPHX2 968/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SCN9A 694/4885SCN5A 1745/4885EPHX2 968/4885

“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.