SCHEMBL978464

SCHEMBL978464

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
WDR5 P61964 3/20 0.37
DDR1 Q08345 3/20 0.33
CCR2 P41597 1/20 0.33
SLC6A9 P48067 2/20 0.32
GPR139 Q6DWJ6 1/20 0.32
FFAR2 O15552 1/20 0.32
PLD2 O14939 1/20 0.32
PLD1 Q13393 1/20 0.32
CNR1 P21554 1/20 0.31
MEN1 O00255 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN9A Q15858 1/20 0.31
MCHR1 Q99705 1/20 0.31
CACNA1G O43497 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL979118 0.92 SLC6A9 (0.36) KMT2AWDR5DDR1SLC6A9GPR139
SCHEMBL979117 0.92 SLC6A9 (0.36) KMT2AWDR5DDR1SLC6A9GPR139
SCHEMBL976397 0.92 SLC6A9 (0.34) KMT2AWDR5CCR2SLC6A9FFAR2
SCHEMBL974345 0.92 CA12 (0.34) KMT2AWDR5DDR1SLC6A9GPR139
SCHEMBL974361 0.91 EPHX2 (0.34) KMT2AWDR5CCR2SLC6A9FFAR2
SCHEMBL977431 0.90 SCN9A (0.38) CCR2SLC6A9GPR139FFAR2SCN9A
SCHEMBL977764 0.88 CCR2 (0.40) CCR2SCN9A
SCHEMBL976319 0.88 CCR2 (0.42) DDR1CCR2
SCHEMBL974779 0.88 CNR1 (0.35) CCR2SLC6A9CNR1SCN9A
SCHEMBL978434 0.87 CCR1 (0.34) KMT2AWDR5DDR1SLC6A9PDE3B

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 KMT2A 2003/4885WDR5 2893/4885DDR1 2907/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B KMT2A 2003/4885WDR5 2893/4885DDR1 2907/4885

“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.