SCHEMBL977212

SCHEMBL977212

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
FABP4 P15090 1/20 0.35
SCN9A Q15858 5/20 0.35
PPARA Q07869 3/20 0.34
WDR5 P61964 3/20 0.34
IGF1R P08069 1/20 0.34
SCN7A Q01118 1/20 0.33
SCN5A Q14524 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 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
SCHEMBL977228 0.93 PPARA (0.41) FABP4SCN9APPARASCN7ASCN5A
SCHEMBL978278 0.90 FABP4 (0.37) FABP4SCN9APPARASCN7ASCN5A
SCHEMBL974202 0.90 WDR5 (0.41) FABP4SCN9APPARAWDR5SCN7A
SCHEMBL975365 0.89 PPARA (0.45) FABP4SCN9APPARASCN5AL3MBTL1
SCHEMBL979148 0.88 SCN9A (0.42) FABP4SCN9ASCN7ASCN5A
SCHEMBL977371 0.88 FABP4 (0.41) MEN1KMT2AFABP4SCN9APPARA
SCHEMBL977867 0.88 GRIA2 (0.35) KMT2ASCN9ASCN7ASCN5ACA1
SCHEMBL977865 0.88 GRIA2 (0.35) KMT2ASCN9ASCN7ASCN5ACA1
SCHEMBL977039 0.87 NHERF1 (0.40) MEN1KMT2ASCN9ASCN7ASCN5A
SCHEMBL975840 0.86 PPARA (0.48) MEN1KMT2AFABP4SCN9APPARA

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 MEN1 1111/4885KMT2A 2003/4885POLB 3591/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B MEN1 1111/4885KMT2A 2003/4885POLB 3591/4885

“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.