SCHEMBL975579

SCHEMBL975579

C[C@H](NC(=O)c1cc(F)cc(NS(=O)(=O)CC2CN(C(c3ccc(C#N)cc3)c3ccc(C#N)cc3)C2)c1)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.37
EPHX2 P34913 4/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP2J2 P51589 1/20 0.34
KDM1A O60341 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE1 P56817 1/20 0.33
SCN5A Q14524 1/20 0.33
GRIA2 P42262 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
SCHEMBL977025 0.92 BACE1 (0.36) SCN9AMEN1KMT2ABACE1SCN5A
SCHEMBL978481 0.90 GRIA2 (0.34) SCN9AKMT2ABACE1SCN5AGRIA2
SCHEMBL974741 0.90 SCN9A (0.35) SCN9ABACE1SCN5AGRIA2
SCHEMBL974839 0.90 SCN9A (0.35) SCN9ABACE1SCN5AGRIA2
SCHEMBL977104 0.88 HPGDS (0.37) SCN9AKMT2AGRIA2
SCHEMBL977062 0.88 SCN9A (0.36) SCN9AKDM1AGRIA2
SCHEMBL977233 0.87 CNR1 (0.35) CYP2C9
SCHEMBL979148 0.86 SCN9A (0.42) SCN9AEPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL977049 0.83 SCN9A (0.39) SCN9AEPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL977439 0.82 SCN9A (0.36) SCN9ABACE1SCN5AGRIA2

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
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP claimed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 US 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 694/4885EPHX2 968/4885CYP2C9 55/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SCN9A 694/4885EPHX2 968/4885CYP2C9 55/4885

“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.