SCHEMBL977368

SCHEMBL977368

CC[C@H](NC(=O)c1cc(F)cc(NS(=O)(=O)CC2CN(C(c3ccc(C)cc3)c3ccc(C)cc3)C2)c1)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.34
GRIA2 P42262 1/20 0.32
BACE1 P56817 4/20 0.31
SCN7A Q01118 1/20 0.31
SCN5A Q14524 1/20 0.31
KAT6A Q92794 2/20 0.31
KAT5 Q92993 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
PLAU P00749 1/20 0.30
HPN P05981 1/20 0.30

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
SCHEMBL977225 0.93 CCR1 (0.35) SCN9AGRIA2BACE1KAT6AKAT5
SCHEMBL976435 0.89 ACHE (0.37) SCN9A
SCHEMBL976727 0.87 CCR1 (0.36) SCN9ABACE1KAT6AKAT5CA1
SCHEMBL977298 0.86 SCN9A (0.33) SCN9AGRIA2KAT6AKAT5TP53
SCHEMBL977629 0.85 CCR1 (0.37) CA1CA2
SCHEMBL977025 0.85 BACE1 (0.36) SCN9AGRIA2BACE1SCN7ASCN5A
SCHEMBL978278 0.84 FABP4 (0.37) SCN9AGRIA2SCN7ASCN5ALMNA
SCHEMBL975653 0.84 CCR1 (0.36) SCN9ACA1CA2
SCHEMBL979322 0.83 TCF4 (0.37) SCN9AGRIA2SCN7ASCN5ALMNA
SCHEMBL974839 0.83 SCN9A (0.35) SCN9AGRIA2BACE1SCN7ASCN5A

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
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
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 SCN9A 694/4885GRIA2 1299/4885BACE1 2925/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SCN9A 694/4885GRIA2 1299/4885BACE1 2925/4885

“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.