SCHEMBL975705

SCHEMBL975705

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.36
LMNA P02545 3/20 0.36
SCN9A Q15858 8/20 0.34
CNR1 P21554 2/20 0.33
SCN7A Q01118 1/20 0.33
SCN5A Q14524 1/20 0.33
CNR2 P34972 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A9 P48067 1/20 0.32
FFAR2 O15552 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MAPT P10636 1/20 0.32
CCR2 P41597 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
SCHEMBL977532 0.91 ERAP1 (0.38) TP53LMNASCN9ACNR1SCN7A
SCHEMBL977174 0.91 SCN9A (0.35) TP53LMNASCN9ACNR1SCN7A
SCHEMBL977991 0.86 TRPA1 (0.37) TP53LMNASCN9ACNR1SCN7A
SCHEMBL977430 0.86 MEN1 (0.35) SCN9ASLC6A9FFAR2CCR2
SCHEMBL977765 0.85 CTSD (0.40) LMNAMAPTCCR2
SCHEMBL976395 0.84 MEN1 (0.36) CNR2MAPK1SLC6A9FFAR2MMP2
SCHEMBL977066 0.84 ENPP2 (0.34) SCN9ACNR1SLC6A9FFAR2CCR2
SCHEMBL977176 0.84 SLC6A9 (0.38) LMNASCN9ACNR1SCN7ASCN5A
SCHEMBL3662128 0.83 TSHR (0.35) TP53LMNASCN9ASCN7ASCN5A
SCHEMBL976850 0.83 SCN9A (0.34) TP53LMNASCN9ACNR1SCN7A

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 8 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
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
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 TP53 3301/4885LMNA 3943/4885SCN9A 694/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B TP53 3301/4885LMNA 3943/4885SCN9A 694/4885

“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.