SCHEMBL975244

SCHEMBL975244

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.44
SLC6A9 P48067 3/20 0.39
CNR1 P21554 1/20 0.37
FABP4 P15090 1/20 0.37
GPX4 P36969 1/20 0.36
CACNA2D1 P54289 6/20 0.35
CACNB1 Q02641 6/20 0.35
CACNA1B Q00975 5/20 0.35
CACNA1C Q13936 4/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1A O00555 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL974408 0.91 WDR5 (0.41) WDR5SLC6A9CNR1GPX4CACNA2D1
SCHEMBL977114 0.91 WDR5 (0.41) WDR5SLC6A9CNR1GPX4CACNA2D1
SCHEMBL974202 0.91 WDR5 (0.41) WDR5SLC6A9CNR1FABP4GPX4
SCHEMBL975275 0.89 SLC6A9 (0.39) SLC6A9CNR1GPX4MEN1KMT2A
SCHEMBL977461 0.89 MEN1 (0.44) WDR5SLC6A9MEN1GAAKMT2A
SCHEMBL977821 0.88 WDR5 (0.42) WDR5SLC6A9MEN1KMT2A
SCHEMBL975564 0.88 WDR5 (0.39) WDR5SLC6A9CNR1GPX4CACNA2D1
SCHEMBL977321 0.88 WDR5 (0.39) WDR5SLC6A9FABP4GPX4CACNA1G
SCHEMBL976402 0.87 CCKBR (0.38) SLC6A9CNR1
SCHEMBL976400 0.87 CCKBR (0.38) SLC6A9CNR1

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 WDR5 2893/4885SLC6A9 2158/4885CNR1 250/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B WDR5 2893/4885SLC6A9 2158/4885CNR1 250/4885

“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.