SCHEMBL975806

SCHEMBL975806

Cc1cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)cc(C(=O)NCC(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.35
CCR2 P41597 6/20 0.35
CNR1 P21554 2/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A9 P48067 2/20 0.33
F2 P00734 1/20 0.33
NR3C1 P04150 1/20 0.33
LMNA P02545 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KCNH2 Q12809 1/20 0.31
CACNA1I Q9P0X4 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
SCHEMBL976720 0.90 TP53 (0.35) TP53CCR2CNR1SLC6A9DRD2
SCHEMBL975803 0.88 EGFR (0.39) TP53CCR2CNR1KMT2ASLC6A9
SCHEMBL977002 0.87 RHOC (0.43) CCR2
SCHEMBL977625 0.87 EPHX2 (0.34) TP53CNR1SLC6A9NR3C1
SCHEMBL977820 0.86 CA1 (0.35) TP53CNR1SLC6A9
SCHEMBL977114 0.86 WDR5 (0.41) CNR1KMT2ASLC6A9
SCHEMBL974820 0.86 CCR1 (0.36) SLC6A9KCNH2
SCHEMBL976727 0.86 CCR1 (0.36) CNR1SLC6A9
SCHEMBL975573 0.84 SLC6A9 (0.37) CNR1SLC6A9DRD3
SCHEMBL975574 0.84 SLC6A9 (0.37) CNR1SLC6A9DRD3

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 3301/4885CCR2 1287/4885CNR1 250/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B TP53 3301/4885CCR2 1287/4885CNR1 250/4885

“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.