SCHEMBL977819

SCHEMBL977819

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.43
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
UTS2R Q9UKP6 5/20 0.33
SLC6A9 P48067 1/20 0.32
CNR1 P21554 2/20 0.32
BACE1 P56817 1/20 0.32
WDR91 A4D1P6 1/20 0.32
EPHX2 P34913 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 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
SCHEMBL976726 0.94 F2 (0.42) F2CA1CA2CA12CA9
SCHEMBL977200 0.93 CA1 (0.38) F2CA1CA2CA12CA9
SCHEMBL977296 0.91 CA1 (0.36) F2CA1CA2CA12CA9
SCHEMBL977057 0.91 CA1 (0.38) F2CA1CA2CA12CA9
SCHEMBL977623 0.90 F2 (0.42) F2CA1CA12CA9UTS2R
SCHEMBL976068 0.90 UTS2R (0.38) F2CA1CA2CA12CA9
SCHEMBL976499 0.89 UTS2R (0.39) CA1CA2CA12CA9UTS2R
SCHEMBL976394 0.89 CA1 (0.35) F2CA1CA2CA12CA9
SCHEMBL974819 0.88 F2 (0.41) F2EPHX2
SCHEMBL977628 0.87 F2 (0.36) F2CA1CA2CA12CA9

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 7 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
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 2042/4885CA1 4724/4885CA2 4091/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B F2 2042/4885CA1 4724/4885CA2 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.