SCHEMBL976851

SCHEMBL976851

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.38
SCN7A Q01118 1/20 0.36
SCN5A Q14524 1/20 0.36
LMNA P02545 4/20 0.33
TP53 P04637 3/20 0.33
KCNA5 P22460 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRAF P15056 1/20 0.33
CCR1 P32246 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 1/20 0.33
EPHX2 P34913 1/20 0.33
KAT6A Q92794 1/20 0.32
KAT5 Q92993 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
SLC6A9 P48067 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
SCHEMBL977177 0.90 SCN9A (0.38) SCN9ASCN7ASCN5ALMNATP53
SCHEMBL977993 0.89 SCN9A (0.37) SCN9ASCN7ASCN5ALMNATP53
SCHEMBL977225 0.86 CCR1 (0.35) SCN9AKCNA5CCR1KAT6AKAT5
SCHEMBL975115 0.86 CCR1 (0.40) CCR1CNR2
SCHEMBL977533 0.86 SCN9A (0.40) SCN9ASCN7ASCN5ALMNATP53
SCHEMBL977534 0.86 SCN9A (0.40) SCN9ASCN7ASCN5ALMNATP53
SCHEMBL974346 0.85 CCR1 (0.36) SCN9ASCN7ASCN5ACCR1
SCHEMBL975708 0.85 SCN9A (0.38) SCN9ASCN7ASCN5ALMNATP53
SCHEMBL977629 0.85 CCR1 (0.37) CCR1CNR1SLC6A9
SCHEMBL976727 0.84 CCR1 (0.36) SCN9ACCR1CNR1EPHX2KAT6A

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 694/4885SCN7A 1877/4885SCN5A 1745/4885

“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.