SCHEMBL975366

SCHEMBL975366

CS(=O)(=O)N(c1cc(F)cc(C(=O)O)c1)C1CN(C(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CACNA1A O00555 2/20 0.36
CACNA2D1 P54289 2/20 0.36
CACNB1 Q02641 2/20 0.36
PPARA Q07869 2/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
PTGDR Q13258 3/20 0.34
PDE2A O00408 3/20 0.34
PTGER4 P35408 3/20 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
SCHEMBL977229 0.92 OPRD1 (0.35) CACNA2D1CACNB1CACNA1BCACNA1CSCN9A
SCHEMBL978279 0.90 OPRD1 (0.34) KCNH2CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL974203 0.89 SLC6A9 (0.38) CACNA2D1CACNB1CACNA1BCACNA1CPTGDR
SCHEMBL977213 0.89 OPRD1 (0.33) KCNH2SCN5ASCN9APTGDRTBXA2R
SCHEMBL975841 0.89 ACHE (0.41) PPARAPDE2AMRGPRX4
SCHEMBL977372 0.87 OPRD1 (0.36) CACNA1ACACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL976537 0.87 ALOX15 (0.38) SLC6A9MMP2MMP9OPRD1
SCHEMBL979149 0.87 EPHX2 (0.37) SCN5ASCN9APTGDRTBXA2ROPRD1
SCHEMBL977822 0.85 MEN1 (0.37) CACNA2D1CACNB1CACNA1BCACNA1CSLC6A9
SCHEMBL977060 0.85 PDE2A (0.35) KCNH2PTGS1PTGS2PSEN1PSEN2

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 KCNH2 124/4885PTGS1 846/4885PTGS2 1325/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B KCNH2 124/4885PTGS1 846/4885PTGS2 1325/4885

“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.