SCHEMBL974202

SCHEMBL974202

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.41
SLC6A9 P48067 4/20 0.37
CNR1 P21554 1/20 0.35
FABP4 P15090 1/20 0.35
MDM2 Q00987 2/20 0.35
SCN9A Q15858 3/20 0.35
PPARA Q07869 1/20 0.34
GPX4 P36969 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CACNA2D1 P54289 3/20 0.33
CACNA1B Q00975 3/20 0.33
CACNB1 Q02641 3/20 0.33
CACNA1C Q13936 3/20 0.33
CACNA1G O43497 1/20 0.33
SCN7A Q01118 1/20 0.33
SCN5A Q14524 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
SCHEMBL977228 0.93 PPARA (0.41) FABP4SCN9APPARACACNA2D1CACNA1B
SCHEMBL975244 0.91 WDR5 (0.44) WDR5SLC6A9CNR1FABP4GPX4
SCHEMBL977212 0.90 MEN1 (0.36) WDR5FABP4SCN9APPARALMNA
SCHEMBL978278 0.90 FABP4 (0.37) SLC6A9FABP4SCN9APPARALMNA
SCHEMBL977022 0.90 SLC6A9 (0.37) SLC6A9CNR1MDM2SCN9AGPX4
SCHEMBL975365 0.89 PPARA (0.45) SLC6A9FABP4SCN9APPARACACNA2D1
SCHEMBL974408 0.88 WDR5 (0.41) WDR5SLC6A9CNR1SCN9AGPX4
SCHEMBL977114 0.88 WDR5 (0.41) WDR5SLC6A9CNR1GPX4CACNA2D1
SCHEMBL977821 0.88 WDR5 (0.42) WDR5SLC6A9
SCHEMBL979148 0.88 SCN9A (0.42) FABP4SCN9ASCN7ASCN5A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101945852-B Azetidine derivatives, their preparation and their use in therapy SANOFI AVENTIS 2014-05-07 CN disclosed
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.