SCHEMBL977293

SCHEMBL977293

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SCN9A Q15858 5/20 0.35
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRIA2 P42262 1/20 0.33
CPT1A P50416 1/20 0.33
MAPT P10636 2/20 0.33
SLC6A9 P48067 1/20 0.33
BACE1 P56817 1/20 0.32
SCN7A Q01118 1/20 0.32
SCN5A Q14524 1/20 0.32
KAT6A Q92794 2/20 0.32
KAT5 Q92993 2/20 0.32
KAT8 Q9H7Z6 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
SCHEMBL977289 1.00 CA12 (0.37) CA12CA1CA2CA9SCN9A
SCHEMBL977439 0.94 SCN9A (0.36) SCN9AGRIA2SLC6A9BACE1SCN7A
SCHEMBL977441 0.94 SCN9A (0.36) SCN9AGRIA2SLC6A9BACE1SCN7A
SCHEMBL977633 0.91 KAT5 (0.37) SCN9AGRIA2MAPTSLC6A9SCN7A
SCHEMBL977630 0.91 KAT5 (0.37) SCN9AGRIA2MAPTSLC6A9SCN7A
SCHEMBL977153 0.90 SLC6A9 (0.38) CA1CA2SCN9AGRIA2SLC6A9
SCHEMBL977155 0.90 SLC6A9 (0.38) CA1CA2SCN9AGRIA2SLC6A9
SCHEMBL974839 0.90 SCN9A (0.35) CA12CA1CA9SCN9AGRIA2
SCHEMBL974741 0.90 SCN9A (0.35) CA12CA1CA9SCN9AGRIA2
SCHEMBL977431 0.90 SCN9A (0.38) SCN9AGRIA2SLC6A9BACE1KAT6A

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 CA12 4557/4885CA1 4724/4885CA2 4091/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B CA12 4557/4885CA1 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.