SCHEMBL977906

SCHEMBL977906

COC(=O)c1cc(F)cc(NS(=O)(=O)CC2CN(C(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
ABL1 P00519 4/20 0.41
PPARA Q07869 1/20 0.39
ALPL P05186 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
SCN9A Q15858 2/20 0.35
EPHX2 P34913 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
FAAH O00519 1/20 0.34
OPRD1 P41143 1/20 0.34
MGLL Q99685 1/20 0.33

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
SCHEMBL975840 0.92 PPARA (0.48) ACHEABL1PPARAMEN1KMT2A
SCHEMBL975372 0.91 KDM4E (0.41) MEN1KMT2ASCN9ALMNAMAPK1
SCHEMBL979322 0.89 TCF4 (0.37) MEN1KMT2ASCN9ALMNAOPRD1
SCHEMBL977022 0.88 SLC6A9 (0.37) MEN1KMT2ASCN9ALMNANPC1
SCHEMBL976435 0.86 ACHE (0.37) ACHEABL1PPARASCN9AEPHX2
SCHEMBL974855 0.85 HPGD (0.38) MEN1KMT2ASCN9ALMNAMAPK1
SCHEMBL977371 0.85 FABP4 (0.41) PPARAMEN1KMT2ASCN9ALMNA
SCHEMBL976538 0.83 BCHE (0.38) ACHEPPARASCN9ALMNAOPRD1
SCHEMBL976058 0.81 ATM (0.38)
SCHEMBL977039 0.81 NHERF1 (0.40) MEN1KMT2ASCN9ALMNAMAPK1

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
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US claimed
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP 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 529/4885ABL1 102/4885PPARA 3631/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B ACHE 529/4885ABL1 102/4885PPARA 3631/4885

“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.