SCHEMBL977623

SCHEMBL977623

Cc1cc(C(=O)N[C@@H](C)C(N)=O)cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.42
EPHX2 P34913 1/20 0.34
SLC6A9 P48067 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BACE1 P56817 3/20 0.32
CTSD P07339 2/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
UTS2R Q9UKP6 2/20 0.32
CNR1 P21554 2/20 0.32
NR3C1 P04150 2/20 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
SCHEMBL976966 0.93 F2 (0.35) F2SLC6A9CA12CA1CA9
SCHEMBL975572 0.92 F2 (0.43) F2EPHX2SLC6A9CA12CA1
SCHEMBL974819 0.92 F2 (0.41) F2EPHX2
SCHEMBL974838 0.91 F2 (0.34) F2SLC6A9CA12CA1CA9
SCHEMBL974739 0.91 F2 (0.34) F2SLC6A9CA12CA1CA9
SCHEMBL974359 0.91 F2 (0.42) F2EPHX2SLC6A9MEN1KMT2A
SCHEMBL974342 0.91 CA12 (0.34) F2SLC6A9CA12CA1CA9
SCHEMBL977819 0.90 F2 (0.43) F2EPHX2SLC6A9CA12CA1
SCHEMBL976726 0.89 F2 (0.42) F2EPHX2SLC6A9CA12CA1
SCHEMBL976734 0.89 CCR2 (0.38) F2CA12CA1CA9UTS2R

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 9 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
EP-2234966-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY Sanofi-Aventis (FR) 2010-10-06 EP claimed
WO-2009106708-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2009-09-03 WO claimed
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US disclosed
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP 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 F2 2042/4885EPHX2 968/4885SLC6A9 2158/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B F2 2042/4885EPHX2 968/4885SLC6A9 2158/4885

“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.