SCHEMBL976720

SCHEMBL976720

NC(=O)CNC(=O)c1cc(F)cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
SCN9A Q15858 3/20 0.34
CCR2 P41597 1/20 0.34
SLC6A9 P48067 3/20 0.34
SLC6A5 Q9Y345 1/20 0.34
CNR1 P21554 1/20 0.34
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KAT6A Q92794 1/20 0.32
KAT5 Q92993 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
GRIA2 P42262 1/20 0.32
RHOC P08134 1/20 0.32
RHOA P61586 1/20 0.32
MDM2 Q00987 2/20 0.31
RIPK1 Q13546 1/20 0.31
DDR1 Q08345 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
SCHEMBL977992 0.91 KMT2A (0.39) TP53SCN9ADRD2DRD3RHOC
SCHEMBL975806 0.90 TP53 (0.35) TP53CCR2SLC6A9CNR1DRD2
SCHEMBL977002 0.89 RHOC (0.43) CCR2RHOCRHOADDR1
SCHEMBL975803 0.88 EGFR (0.39) TP53CCR2SLC6A9SLC6A5CNR1
SCHEMBL974839 0.86 SCN9A (0.35) GPR139SCN9ASLC6A9KAT6AKAT5
SCHEMBL977298 0.86 SCN9A (0.33) TP53SCN9ASLC6A9CNR1KAT6A
SCHEMBL974741 0.86 SCN9A (0.35) GPR139SCN9ASLC6A9KAT6AKAT5
SCHEMBL974202 0.86 WDR5 (0.41) TP53SCN9ASLC6A9CNR1MDM2
SCHEMBL977225 0.85 CCR1 (0.35) SCN9ASLC6A9KAT6AKAT5KAT8
SCHEMBL975369 0.85 CCR1 (0.38) SCN9ASLC6A9CNR1KAT6AKAT5

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 TP53 3301/4885GPR139 1980/4885SCN9A 694/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B TP53 3301/4885GPR139 1980/4885SCN9A 694/4885

“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.