SCHEMBL977633

SCHEMBL977633

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT5 Q92993 5/20 0.37
KAT6A Q92794 4/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
KAT8 Q9H7Z6 5/20 0.35
SCN9A Q15858 6/20 0.34
GRIA2 P42262 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
SLC6A9 P48067 1/20 0.32
APP P05067 1/20 0.31
SCN7A Q01118 1/20 0.31
SCN5A Q14524 1/20 0.31
PHGDH O43175 1/20 0.31
CCR2 P41597 1/20 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
SCHEMBL977630 1.00 KAT5 (0.37) KAT5KAT6AMAPTMAPK1ATM
SCHEMBL977439 0.92 SCN9A (0.36) KAT5KAT6AKAT8SCN9AGRIA2
SCHEMBL977441 0.92 SCN9A (0.36) KAT5KAT6AKAT8SCN9AGRIA2
SCHEMBL977289 0.91 CA12 (0.37) KAT5KAT6AMAPTKAT8SCN9A
SCHEMBL977293 0.91 CA12 (0.37) KAT5KAT6AMAPTKAT8SCN9A
SCHEMBL975682 0.89 EGFR (0.39) KAT5KAT6AMAPTMAPK1ATM
SCHEMBL975685 0.89 EGFR (0.39) KAT5KAT6AMAPTMAPK1ATM
SCHEMBL977153 0.89 SLC6A9 (0.38) KAT5KAT6AKAT8SCN9AGRIA2
SCHEMBL977155 0.89 SLC6A9 (0.38) KAT5KAT6AKAT8SCN9AGRIA2
SCHEMBL974839 0.88 SCN9A (0.35) KAT5KAT6AKAT8SCN9AGRIA2

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 KAT5 4433/4885KAT6A 3684/4885MAPT 4790/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B KAT5 4433/4885KAT6A 3684/4885MAPT 4790/4885

“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.