SCHEMBL977321

SCHEMBL977321

COc1cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)cc(C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.39
RORC P51449 1/20 0.38
SLC6A9 P48067 3/20 0.37
CACNA1G O43497 1/20 0.36
CASR P41180 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
FABP4 P15090 1/20 0.36
USP2 O75604 1/20 0.35
OPRD1 P41143 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CNR2 P34972 1/20 0.35
GPX4 P36969 1/20 0.35
MGLL Q99685 1/20 0.35
PLA2G4A P47712 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
SCHEMBL977237 0.93 SLC6A9 (0.37) RORCSLC6A9CACNA1GMEN1KMT2A
SCHEMBL975244 0.88 WDR5 (0.44) WDR5SLC6A9CACNA1GMEN1KMT2A
SCHEMBL977114 0.88 WDR5 (0.41) WDR5SLC6A9CACNA1GMEN1KMT2A
SCHEMBL976314 0.86 MEN1 (0.35) MEN1KMT2ALMNACNR2
SCHEMBL974202 0.86 WDR5 (0.41) WDR5SLC6A9CACNA1GLMNAFABP4
SCHEMBL974408 0.86 WDR5 (0.41) WDR5SLC6A9CACNA1GMEN1KMT2A
SCHEMBL975564 0.85 WDR5 (0.39) WDR5SLC6A9CACNA1GMEN1KMT2A
SCHEMBL977371 0.85 FABP4 (0.41) CACNA1GMEN1KMT2ATDP1LMNA
SCHEMBL975275 0.84 SLC6A9 (0.39) SLC6A9MEN1KMT2ALMNAOPRD1
SCHEMBL977461 0.84 MEN1 (0.44) WDR5SLC6A9MEN1KMT2ATDP1

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 2893/4885RORC 2323/4885SLC6A9 2158/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B WDR5 2893/4885RORC 2323/4885SLC6A9 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.