SCHEMBL977625

SCHEMBL977625

Cc1cc(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 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
NR3C1 P04150 2/20 0.34
SLC6A9 P48067 3/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
CNR1 P21554 3/20 0.32
UTS2R Q9UKP6 2/20 0.31
TP53 P04637 1/20 0.31
BACE1 P56817 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
WDR91 A4D1P6 1/20 0.31
CNR2 P34972 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
SCHEMBL976967 0.93 SLC6A9 (0.34) SLC6A9CA12CA1CA9ITGB3
SCHEMBL975574 0.92 SLC6A9 (0.37) EPHX2SLC6A9CA1CNR1
SCHEMBL975573 0.92 SLC6A9 (0.37) EPHX2SLC6A9CA1CNR1
SCHEMBL974820 0.92 CCR1 (0.36) EPHX2SLC6A9
SCHEMBL974361 0.92 EPHX2 (0.34) EPHX2SLC6A9CNR1UTS2RTP53
SCHEMBL974839 0.91 SCN9A (0.35) SLC6A9CA12CA1CA9ITGB3
SCHEMBL974345 0.91 CA12 (0.34) SLC6A9CA12CA1CA9ITGB3
SCHEMBL977820 0.91 CA1 (0.35) EPHX2SLC6A9CA12CA1CA9
SCHEMBL974741 0.91 SCN9A (0.35) SLC6A9CA12CA1CA9ITGB3
SCHEMBL976727 0.90 CCR1 (0.36) EPHX2SLC6A9CA12CA1CA9

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 EPHX2 968/4885NR3C1 2652/4885SLC6A9 2158/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B EPHX2 968/4885NR3C1 2652/4885SLC6A9 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.