SCHEMBL977174

SCHEMBL977174

C[C@H](NC(=O)c1cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)ccc1F)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 3/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
SCN7A Q01118 3/20 0.34
SCN5A Q14524 3/20 0.34
SLC6A9 P48067 3/20 0.33
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
MAPK1 P28482 1/20 0.31
TRPA1 O75762 1/20 0.31
SCN2B O60939 1/20 0.31
SCN1A P35498 1/20 0.31
SCN4A P35499 1/20 0.31
SCN1B Q07699 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN8A Q9UQD0 1/20 0.31

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
SCHEMBL977532 0.92 ERAP1 (0.38) SCN9ALMNATP53CNR1CNR2
SCHEMBL977991 0.92 TRPA1 (0.37) SCN9ALMNATP53CNR1CNR2
SCHEMBL975705 0.91 TP53 (0.36) SCN9ALMNATP53CNR1CNR2
SCHEMBL976850 0.89 SCN9A (0.34) SCN9ALMNATP53CNR1CNR2
SCHEMBL974739 0.85 F2 (0.34) SLC6A9
SCHEMBL974838 0.85 F2 (0.34) SLC6A9
SCHEMBL976386 0.85 CTSD (0.39)
SCHEMBL976518 0.85 CTSD (0.39)
SCHEMBL3655290 0.85 TSHR (0.35) SCN9ALMNATP53SCN7ASCN5A
SCHEMBL977176 0.84 SLC6A9 (0.38) SCN9ALMNACNR1CNR2SCN7A

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-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
EP-2234966-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY Sanofi-Aventis (FR) 2010-10-06 EP claimed
WO-2009106708-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2009-09-03 WO claimed
EP-2234966-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY Sanofi-Aventis (FR) 2010-10-06 EP disclosed
WO-2009106708-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2009-09-03 WO 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 (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 694/4885LMNA 3943/4885TP53 3301/4885

“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.