SCHEMBL975840

SCHEMBL975840

O=C(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 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.48
ACHE P22303 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
WDR5 P61964 1/20 0.38
ABL1 P00519 3/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
AURKA O14965 1/20 0.35
TPX2 Q9ULW0 1/20 0.35
FABP4 P15090 1/20 0.35
EPHX2 P34913 3/20 0.34
FAAH O00519 2/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SCN9A Q15858 2/20 0.34

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
SCHEMBL977906 0.92 ACHE (0.42) PPARAACHEMRGPRX4MEN1KMT2A
SCHEMBL977371 0.89 FABP4 (0.41) PPARAMEN1KMT2AFABP4GAA
SCHEMBL977228 0.89 PPARA (0.41) PPARAFABP4SCN9A
SCHEMBL975365 0.88 PPARA (0.45) PPARAMRGPRX4FABP4SCN9A
SCHEMBL978278 0.86 FABP4 (0.37) PPARAFABP4SCN9A
SCHEMBL977212 0.86 MEN1 (0.36) PPARAMEN1KMT2AWDR5FABP4
SCHEMBL974202 0.86 WDR5 (0.41) PPARAWDR5FABP4SCN9A
SCHEMBL976435 0.85 ACHE (0.37) PPARAACHEABL1EPHX2SCN9A
SCHEMBL979148 0.84 SCN9A (0.42) FABP4EPHX2SCN9A
SCHEMBL975372 0.82 KDM4E (0.41) MEN1KMT2ANPC1RAB9ASCN9A

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 PPARA 3631/4885ACHE 529/4885MRGPRX4 173/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B PPARA 3631/4885ACHE 529/4885MRGPRX4 173/4885

“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.