SCHEMBL977993

SCHEMBL977993

CC(C)[C@H](NC(=O)c1cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)ccc1F)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.37
TRPA1 O75762 1/20 0.36
SCN7A Q01118 1/20 0.36
SCN5A Q14524 1/20 0.36
P2RX3 P56373 1/20 0.35
LMNA P02545 4/20 0.34
TP53 P04637 4/20 0.34
CCR1 P32246 2/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL977177 0.92 SCN9A (0.38) SCN9ASCN7ASCN5AP2RX3LMNA
SCHEMBL976851 0.89 SCN9A (0.38) SCN9ASCN7ASCN5ALMNATP53
SCHEMBL977534 0.87 SCN9A (0.40) SCN9ASCN7ASCN5AP2RX3LMNA
SCHEMBL977533 0.87 SCN9A (0.40) SCN9ASCN7ASCN5AP2RX3LMNA
SCHEMBL975708 0.87 SCN9A (0.38) SCN9ASCN7ASCN5ALMNATP53
SCHEMBL975369 0.86 CCR1 (0.38) SCN9ACCR1CNR1
SCHEMBL976507 0.85 CCR1 (0.36) CCR1
SCHEMBL974820 0.84 CCR1 (0.36) CCR1
SCHEMBL977175 0.83 FABP4 (0.40) SCN9ASCN7ASCN5A
SCHEMBL978434 0.83 CCR1 (0.34) LMNACCR1

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 3 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

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 694/4885TRPA1 4029/4885SCN7A 1877/4885

“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.