SCHEMBL976402

SCHEMBL976402

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.38
SLC6A9 P48067 4/20 0.38
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
GRN P28799 5/20 0.36
SORT1 Q99523 5/20 0.36
KDM4C Q9H3R0 1/20 0.35
CNR1 P21554 1/20 0.33

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
SCHEMBL976400 1.00 CCKBR (0.38) CCKBRSLC6A9CA2CA1GRN
SCHEMBL975574 0.93 SLC6A9 (0.37) CCKBRSLC6A9CA2CA1KDM4C
SCHEMBL975573 0.93 SLC6A9 (0.37) CCKBRSLC6A9CA2CA1KDM4C
SCHEMBL979117 0.92 SLC6A9 (0.36) CCKBRSLC6A9CA2CA1KDM4C
SCHEMBL979118 0.92 SLC6A9 (0.36) CCKBRSLC6A9CA2CA1KDM4C
SCHEMBL977153 0.92 SLC6A9 (0.38) CCKBRSLC6A9CA2CA1KDM4C
SCHEMBL977155 0.92 SLC6A9 (0.38) CCKBRSLC6A9CA2CA1KDM4C
SCHEMBL976397 0.92 SLC6A9 (0.34) CCKBRSLC6A9GRNSORT1CNR1
SCHEMBL976967 0.92 SLC6A9 (0.34) CCKBRSLC6A9CA1GRNSORT1
SCHEMBL976524 0.90 EGFR (0.40) SLC6A9CA2CA1

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 CCKBR 109/4885SLC6A9 2158/4885CA2 4091/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B CCKBR 109/4885SLC6A9 2158/4885CA2 4091/4885

“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.