SCHEMBL977068

SCHEMBL977068

CNC(=O)[C@H](C)NC(=O)c1cccc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.34
CCR2 P41597 1/20 0.34
KCNA5 P22460 3/20 0.33
SCN7A Q01118 1/20 0.33
SCN5A Q14524 1/20 0.33
BRAF P15056 1/20 0.33
KAT6A Q92794 4/20 0.33
KAT5 Q92993 4/20 0.33
KAT8 Q9H7Z6 3/20 0.33
P2RX7 Q99572 1/20 0.33
SLC6A9 P48067 2/20 0.32
UTS2R Q9UKP6 2/20 0.32
PTGES2 Q9H7Z7 1/20 0.32

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
SCHEMBL977199 0.91 KDM4E (0.36) SCN9AKCNA5SCN7ASCN5AKAT6A
SCHEMBL975708 0.86 SCN9A (0.38) SCN9ASCN7ASCN5AKAT6AKAT5
SCHEMBL975169 0.84 MEN1 (0.39) SCN9ASCN7ASCN5ASLC6A9
SCHEMBL974851 0.83 SLC6A9 (0.38) SCN9ASCN7ASCN5AKAT6AKAT5
SCHEMBL977764 0.83 CCR2 (0.40) SCN9ACCR2UTS2R
SCHEMBL977431 0.82 SCN9A (0.38) SCN9ACCR2KAT6AKAT5KAT8
SCHEMBL976397 0.80 SLC6A9 (0.34) CCR2SLC6A9
SCHEMBL977066 0.80 ENPP2 (0.34) SCN9ACCR2P2RX7SLC6A9UTS2R
SCHEMBL974361 0.79 EPHX2 (0.34) CCR2SLC6A9UTS2R
SCHEMBL978464 0.78 KMT2A (0.37) SCN9ACCR2SLC6A9

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-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

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-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SCN9A 694/4885CCR2 1287/4885KCNA5 553/4885

“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.