SCHEMBL977228

SCHEMBL977228

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.41
FABP4 P15090 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
SCN9A Q15858 4/20 0.36
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN7A Q01118 1/20 0.35
SCN5A Q14524 1/20 0.35
HTR1F P30939 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MGLL Q99685 1/20 0.34
CA9 Q16790 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL977212 0.93 MEN1 (0.36) PPARAFABP4CA1CA2CA7
SCHEMBL978278 0.93 FABP4 (0.37) PPARAFABP4CA1CA2CA7
SCHEMBL974202 0.93 WDR5 (0.41) PPARAFABP4SCN9ACACNA2D1CACNA1B
SCHEMBL975365 0.91 PPARA (0.45) PPARAFABP4SCN9ACACNA2D1CACNA1B
SCHEMBL977371 0.90 FABP4 (0.41) PPARAFABP4SCN9ACACNA2D1CACNA1B
SCHEMBL979148 0.90 SCN9A (0.42) FABP4SCN9ASCN7ASCN5AMGLL
SCHEMBL975372 0.89 KDM4E (0.41) CA1CA2CA7SCN9ASCN7A
SCHEMBL975840 0.89 PPARA (0.48) PPARAFABP4SCN9A
SCHEMBL977025 0.84 BACE1 (0.36) CA1CA2CA7SCN9ASCN7A
SCHEMBL975244 0.83 WDR5 (0.44) FABP4CACNA2D1CACNA1BCACNB1CACNA1C

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
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US claimed
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP 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 PPARA 3631/4885FABP4 4872/4885CA1 4724/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B PPARA 3631/4885FABP4 4872/4885CA1 4724/4885

“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.