SCHEMBL975565

SCHEMBL975565

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.36
GPX4 P36969 4/20 0.36
CACNA2D1 P54289 2/20 0.34
CACNA1B Q00975 2/20 0.34
CACNB1 Q02641 2/20 0.34
MRGPRX4 Q96LA9 2/20 0.34
OPRD1 P41143 2/20 0.34
CACNA1C Q13936 1/20 0.34
OPRM1 P35372 1/20 0.34
F2 P00734 2/20 0.32
NSD2 O96028 1/20 0.32
MGLL Q99685 1/20 0.31

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
SCHEMBL979163 0.90 OPRD1 (0.35) SLC6A9GPX4CACNA2D1CACNA1BCACNB1
SCHEMBL975245 0.88 SLC6A9 (0.39) SLC6A9GPX4CACNA2D1CACNA1BCACNB1
SCHEMBL977664 0.88 SLC6A9 (0.35) SLC6A9GPX4F2
SCHEMBL977115 0.86 F2 (0.42) SLC6A9GPX4CACNA2D1CACNA1BCACNB1
SCHEMBL977322 0.86 RORC (0.37) SLC6A9GPX4CACNA2D1CACNA1BCACNB1
SCHEMBL977232 0.85 CNR1 (0.34) SLC6A9GPX4F2NSD2
SCHEMBL974409 0.85 SLC6A9 (0.38) SLC6A9GPX4CACNA2D1CACNA1BCACNB1
SCHEMBL974203 0.85 SLC6A9 (0.38) SLC6A9GPX4CACNA2D1CACNA1BCACNB1
SCHEMBL979149 0.85 EPHX2 (0.37) OPRD1NSD2MGLL
SCHEMBL974778 0.85 CNR1 (0.33) SLC6A9GPX4F2

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 SLC6A9 2158/4885GPX4 2823/4885CACNA2D1 2643/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885GPX4 2823/4885CACNA2D1 2643/4885

“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.