SCHEMBL975574

SCHEMBL975574

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.37
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
EPHX2 P34913 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CCKBR P32239 1/20 0.34
S1PR1 P21453 3/20 0.33
ERAP1 Q9NZ08 1/20 0.32
CNR1 P21554 1/20 0.32
SCN9A Q15858 1/20 0.32
S1PR4 O95977 1/20 0.32
TSPO P30536 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL975573 1.00 SLC6A9 (0.37) SLC6A9CA2CA1EPHX2KDM4C
SCHEMBL976402 0.93 CCKBR (0.38) SLC6A9CA2CA1KDM4CCCKBR
SCHEMBL976400 0.93 CCKBR (0.38) SLC6A9CA2CA1KDM4CCCKBR
SCHEMBL977625 0.92 EPHX2 (0.34) SLC6A9CA1EPHX2CNR1
SCHEMBL974361 0.92 EPHX2 (0.34) SLC6A9EPHX2CNR1
SCHEMBL979118 0.91 SLC6A9 (0.36) SLC6A9CA2CA1KDM4CCCKBR
SCHEMBL977155 0.91 SLC6A9 (0.38) SLC6A9CA2CA1KDM4CCCKBR
SCHEMBL977153 0.91 SLC6A9 (0.38) SLC6A9CA2CA1KDM4CCCKBR
SCHEMBL979117 0.91 SLC6A9 (0.36) SLC6A9CA2CA1KDM4CCCKBR
SCHEMBL976523 0.89 EGFR (0.40) SLC6A9CA2CA1S1PR1

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 SLC6A9 2158/4885CA2 4091/4885CA1 4724/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885CA2 4091/4885CA1 4724/4885

“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.