SCHEMBL977867

SCHEMBL977867

CC(NC(=O)c1cc(F)cc(NS(=O)(=O)CC2CN(C(c3ccc(Br)cc3)c3ccc(Br)cc3)C2)c1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.35
SCN9A Q15858 4/20 0.34
BACE1 P56817 3/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
SCN7A Q01118 1/20 0.33
SCN5A Q14524 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA2 P00918 3/20 0.32
CA1 P00915 2/20 0.32
HSP90AA1 P07900 1/20 0.32
KMT2A Q03164 1/20 0.32
MME P08473 1/20 0.32
PPARG P37231 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MCHR1 Q99705 1/20 0.31
CYP2D6 P10635 1/20 0.31
CCR3 P51677 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
SCHEMBL977865 1.00 GRIA2 (0.35) GRIA2SCN9ABACE1BACE2SCN7A
SCHEMBL978481 0.92 GRIA2 (0.34) GRIA2SCN9ABACE1BACE2SCN7A
SCHEMBL976345 0.92 GRIA2 (0.34) GRIA2SCN9ABACE1BACE2SCN7A
SCHEMBL977155 0.92 SLC6A9 (0.38) GRIA2SCN9ABACE1BACE2SCN7A
SCHEMBL977153 0.92 SLC6A9 (0.38) GRIA2SCN9ABACE1BACE2SCN7A
SCHEMBL977212 0.88 MEN1 (0.36) SCN9ASCN7ASCN5ACA2CA1
SCHEMBL979118 0.86 SLC6A9 (0.36) SCN9ACA2CA1KMT2A
SCHEMBL979117 0.86 SLC6A9 (0.36) SCN9ACA2CA1KMT2A
SCHEMBL977025 0.86 BACE1 (0.36) GRIA2SCN9ABACE1BACE2SCN7A
SCHEMBL974839 0.84 SCN9A (0.35) GRIA2SCN9ABACE1BACE2SCN7A

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