SCHEMBL976967

SCHEMBL976967

C[C@H](NC(=O)c1cc(Cl)cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
CNR1 P21554 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
WDR91 A4D1P6 1/20 0.31
CNR2 P34972 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
GAA P10253 1/20 0.31
CCKBR P32239 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 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
SCHEMBL977625 0.93 EPHX2 (0.34) SLC6A9CA12CA1CA9ITGB3
SCHEMBL974741 0.92 SCN9A (0.35) SLC6A9CA12CA1CA9ITGB3
SCHEMBL974839 0.92 SCN9A (0.35) SLC6A9CA12CA1CA9ITGB3
SCHEMBL974345 0.92 CA12 (0.34) SLC6A9CA12CA1CA9ITGB3
SCHEMBL976400 0.92 CCKBR (0.38) SLC6A9CA1CNR1GRNSORT1
SCHEMBL976402 0.92 CCKBR (0.38) SLC6A9CA1CNR1GRNSORT1
SCHEMBL976507 0.91 CCR1 (0.36) SLC6A9KCNH2
SCHEMBL976397 0.91 SLC6A9 (0.34) SLC6A9CNR1GRNSORT1KCNH2
SCHEMBL976314 0.91 MEN1 (0.35) CNR2GAA
SCHEMBL976516 0.90 EGFR (0.40) F10PRSS1

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 SLC6A9 2158/4885CA12 4557/4885CA1 4724/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885CA12 4557/4885CA1 4724/4885

“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.