SCHEMBL976314

SCHEMBL976314

COc1cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)cc(C(=O)N[C@@H](C)C(N)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
UTS2R Q9UKP6 6/20 0.35
HPGDS O60760 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.34
MCHR1 Q99705 2/20 0.33
CNR2 P34972 2/20 0.33
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
DDR1 Q08345 1/20 0.32

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
SCHEMBL976967 0.91 SLC6A9 (0.34) CNR2GAA
SCHEMBL977625 0.89 EPHX2 (0.34) UTS2RCNR2
SCHEMBL974345 0.89 CA12 (0.34) KMT2ASMN1; SMN2DDR1
SCHEMBL974741 0.89 SCN9A (0.35)
SCHEMBL974839 0.89 SCN9A (0.35)
SCHEMBL977233 0.88 CNR1 (0.35) ALDH1A1LMNACNR2
SCHEMBL977104 0.87 HPGDS (0.37) KMT2AHPGDSALDH1A1LMNAMCHR1
SCHEMBL976516 0.87 EGFR (0.40) UTS2RALDH1A1
SCHEMBL976385 0.87 EGFR (0.40) UTS2RALDH1A1
SCHEMBL977321 0.86 WDR5 (0.39) MEN1KMT2ALMNACNR2

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
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP claimed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 US 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 1111/4885POLB 3591/4885KMT2A 2003/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B MEN1 1111/4885POLB 3591/4885KMT2A 2003/4885

“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.