Sugi Predict

Sugi Predict / Compounds / SCHEMBL975365

SCHEMBL975365

SCHEMBL975365

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.45
▸ SCN9A Q15858 3/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ P2RY14 Q15391 2/20 0.37
▸ CACNA1A O00555 1/20 0.37
▸ CACNA2D1 P54289 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ CACNB1 Q02641 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ PTGER4 P35408 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 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
SCHEMBL977228 0.91 PPARA (0.41) PPARASCN9ASCN5ACACNA2D1CACNA1B
SCHEMBL977212 0.89 MEN1 (0.36) PPARASCN9ASCN5AL3MBTL1FABP4
SCHEMBL978278 0.89 FABP4 (0.37) PPARASCN9ASCN5AP2RY14CACNA2D1
SCHEMBL974202 0.89 WDR5 (0.41) PPARASCN9ASCN5ACACNA2D1CACNA1B
SCHEMBL975840 0.88 PPARA (0.48) PPARASCN9AMRGPRX4FABP4
SCHEMBL976538 0.88 BCHE (0.38) PPARASCN9ASLC6A9
SCHEMBL979148 0.86 SCN9A (0.42) SCN9ASCN5AP2RY14FABP4
SCHEMBL977371 0.86 FABP4 (0.41) PPARASCN9ASCN5ACACNA2D1CACNA1B
SCHEMBL977821 0.86 WDR5 (0.42) MRGPRX4SLC6A9
SCHEMBL977062 0.85 SCN9A (0.36) PPARASCN9APTGER4KCNH2PTGS1

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 3631/4885SCN9A 694/4885SCN5A 1745/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B PPARA 3631/4885SCN9A 694/4885SCN5A 1745/4885

“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.