SCHEMBL976396

SCHEMBL976396

N#Cc1cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)cc(C(=O)N[C@@H](CO)C(N)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.34
S1PR3 Q99500 5/20 0.33
S1PR1 P21453 3/20 0.33
CNR2 P34972 3/20 0.32
CNR1 P21554 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
IDO1 P14902 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
P2RX7 Q99572 1/20 0.31
WDR91 A4D1P6 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
SLC6A9 P48067 1/20 0.30
SLC6A5 Q9Y345 1/20 0.30

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
SCHEMBL976413 0.94 IDO1 (0.35) NSD2S1PR3S1PR1CNR2CNR1
SCHEMBL977233 0.91 CNR1 (0.35) NSD2S1PR3S1PR1CNR2CNR1
SCHEMBL977203 0.90 GRN (0.36) CNR2CNR1CA1CA2CA12
SCHEMBL975645 0.89 TRPA1 (0.35) NSD2S1PR3S1PR1CNR2CNR1
SCHEMBL977058 0.88 CA1 (0.35) CNR2CNR1CA1CA2CA12
SCHEMBL977298 0.88 SCN9A (0.33) CNR2CNR1CA1CA2CA12
SCHEMBL977820 0.88 CA1 (0.35) CNR2CNR1CA1CA2CA12
SCHEMBL977665 0.86 CNR1 (0.35) S1PR3S1PR1CNR2CNR1CA1
SCHEMBL977666 0.86 CNR1 (0.35) S1PR3S1PR1CNR2CNR1CA1
SCHEMBL976498 0.86 EGFR (0.38) CNR2CA1CA2CA12CA9

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 NSD2 1570/4885S1PR3 672/4885S1PR1 545/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B NSD2 1570/4885S1PR3 672/4885S1PR1 545/4885

“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.