SCHEMBL974345

SCHEMBL974345

C[C@H](NC(=O)c1cc(Br)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 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
DDR1 Q08345 3/20 0.33
WDR5 P61964 3/20 0.33
KMT2A Q03164 3/20 0.33
SLC6A9 P48067 2/20 0.32
GPR139 Q6DWJ6 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
PLD2 O14939 1/20 0.32
PLD1 Q13393 1/20 0.32
CNR1 P21554 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN9A Q15858 1/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL979117 0.92 SLC6A9 (0.36) CA12CA1CA9DDR1WDR5
SCHEMBL979118 0.92 SLC6A9 (0.36) CA12CA1CA9DDR1WDR5
SCHEMBL976967 0.92 SLC6A9 (0.34) CA12CA1CA9SLC6A9ITGB3
SCHEMBL978434 0.92 CCR1 (0.34) DDR1WDR5KMT2ASLC6A9CCR1
SCHEMBL978464 0.92 KMT2A (0.37) DDR1WDR5KMT2ASLC6A9GPR139
SCHEMBL975653 0.91 CCR1 (0.36) CA12CA1CA9DDR1WDR5
SCHEMBL977625 0.91 EPHX2 (0.34) CA12CA1CA9SLC6A9ITGB3
SCHEMBL974741 0.90 SCN9A (0.35) CA12CA1CA9SLC6A9GPR139
SCHEMBL974839 0.90 SCN9A (0.35) CA12CA1CA9SLC6A9GPR139
SCHEMBL977058 0.90 CA1 (0.35) CA12CA1CA9DDR1WDR5

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 CA12 4557/4885CA1 4724/4885CA9 1776/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B CA12 4557/4885CA1 4724/4885CA9 1776/4885

“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.