SCHEMBL976435

SCHEMBL976435

CC[C@H](NC(=O)c1cc(F)cc(NS(=O)(=O)CC2CN(C(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)C2)c1)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
PDE2A O00408 7/20 0.34
USP30 Q70CQ3 1/20 0.34
PPARA Q07869 1/20 0.34
SCN9A Q15858 2/20 0.34
ABL1 P00519 4/20 0.33
HRH3 Q9Y5N1 2/20 0.33
EPHX2 P34913 2/20 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
SCHEMBL977368 0.89 SCN9A (0.34) SCN9A
SCHEMBL977225 0.88 CCR1 (0.35) SCN9A
SCHEMBL977906 0.86 ACHE (0.42) ACHEPPARASCN9AABL1EPHX2
SCHEMBL975840 0.85 PPARA (0.48) ACHEPPARASCN9AABL1EPHX2
SCHEMBL977104 0.82 HPGDS (0.37) SCN9A
SCHEMBL977298 0.82 SCN9A (0.33) SCN9A
SCHEMBL976415 0.82 RHOC (0.36)
SCHEMBL977629 0.81 CCR1 (0.37)
SCHEMBL977025 0.81 BACE1 (0.36) SCN9A
SCHEMBL977062 0.81 SCN9A (0.36) PDE2APPARASCN9A

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 ACHE 529/4885PDE2A 181/4885USP30 1495/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B ACHE 529/4885PDE2A 181/4885USP30 1495/4885

“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.