SCHEMBL974839

SCHEMBL974839

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.35
GRIA2 P42262 1/20 0.34
SLC6A9 P48067 3/20 0.34
KAT5 Q92993 3/20 0.33
KAT8 Q9H7Z6 3/20 0.33
KAT6A Q92794 2/20 0.33
BACE1 P56817 3/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
CCR1 P32246 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
PLD2 O14939 1/20 0.32
PLD1 Q13393 1/20 0.32
SCN7A Q01118 1/20 0.32
SCN5A Q14524 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
SCHEMBL974741 1.00 SCN9A (0.35) SCN9AGRIA2SLC6A9KAT5KAT8
SCHEMBL977025 0.94 BACE1 (0.36) SCN9AGRIA2BACE1BACE2CA12
SCHEMBL977439 0.93 SCN9A (0.36) SCN9AGRIA2SLC6A9KAT5KAT8
SCHEMBL977441 0.93 SCN9A (0.36) SCN9AGRIA2SLC6A9KAT5KAT8
SCHEMBL977153 0.92 SLC6A9 (0.38) SCN9AGRIA2SLC6A9KAT5KAT8
SCHEMBL977155 0.92 SLC6A9 (0.38) SCN9AGRIA2SLC6A9KAT5KAT8
SCHEMBL976967 0.92 SLC6A9 (0.34) SLC6A9CA12CA1CA9ITGB3
SCHEMBL975369 0.92 CCR1 (0.38) SCN9AGRIA2SLC6A9KAT5KAT8
SCHEMBL977431 0.92 SCN9A (0.38) SCN9AGRIA2SLC6A9KAT5KAT8
SCHEMBL978481 0.92 GRIA2 (0.34) SCN9AGRIA2BACE1BACE2CA12

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 1299/4885SLC6A9 2158/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SCN9A 694/4885GRIA2 1299/4885SLC6A9 2158/4885

“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.