SCHEMBL978481

SCHEMBL978481

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.34
FPR2 P25090 1/20 0.33
SCN9A Q15858 4/20 0.33
BACE1 P56817 3/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
ATM Q13315 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
SCN7A Q01118 1/20 0.32
SCN5A Q14524 1/20 0.32
HPGD P15428 1/20 0.31
PPARG P37231 2/20 0.31
CYP2D6 P10635 2/20 0.31
CCR3 P51677 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 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
SCHEMBL977025 0.94 BACE1 (0.36) GRIA2SCN9ABACE1BACE2CA12
SCHEMBL977867 0.92 GRIA2 (0.35) GRIA2SCN9ABACE1BACE2CA1
SCHEMBL977865 0.92 GRIA2 (0.35) GRIA2SCN9ABACE1BACE2CA1
SCHEMBL974741 0.92 SCN9A (0.35) GRIA2SCN9ABACE1BACE2CA12
SCHEMBL974839 0.92 SCN9A (0.35) GRIA2SCN9ABACE1BACE2CA12
SCHEMBL976345 0.92 GRIA2 (0.34) GRIA2SCN9ABACE1BACE2ATM
SCHEMBL977062 0.90 SCN9A (0.36) GRIA2SCN9ACA12CA1CA9
SCHEMBL977104 0.90 HPGDS (0.37) GRIA2SCN9AALDH1A1GAAKMT2A
SCHEMBL975579 0.90 SCN9A (0.37) GRIA2SCN9ABACE1SCN5AKMT2A
SCHEMBL974345 0.87 CA12 (0.34) SCN9ACA12CA1CA9KMT2A

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 1299/4885FPR2 1645/4885SCN9A 694/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B GRIA2 1299/4885FPR2 1645/4885SCN9A 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.