SCHEMBL977213

SCHEMBL977213

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.33
TBXA2R P21731 1/20 0.33
PTGDR Q13258 1/20 0.33
IGF1R P08069 1/20 0.32
SCN9A Q15858 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC6A9 P48067 2/20 0.31
SCN7A Q01118 1/20 0.30
SCN5A Q14524 1/20 0.30
CCR5 P51681 2/20 0.30
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 1/20 0.30

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 0.93 OPRD1 (0.35) OPRD1SCN9AMEN1KMT2ALMNA
SCHEMBL978279 0.91 OPRD1 (0.34) OPRD1SCN9AMEN1KMT2ALMNA
SCHEMBL974203 0.90 SLC6A9 (0.38) OPRD1TBXA2RPTGDRSLC6A9CCR5
SCHEMBL975366 0.89 KCNH2 (0.36) OPRD1TBXA2RPTGDRSCN9ALMNA
SCHEMBL977372 0.88 OPRD1 (0.36) OPRD1SCN9AKMT2ALMNAGAA
SCHEMBL30961567 0.88 OPRD1 (0.36) OPRD1IGF1RSCN9AMEN1KMT2A
SCHEMBL30961572 0.88 OPRD1 (0.36) OPRD1IGF1RSCN9AMEN1KMT2A
SCHEMBL979149 0.87 EPHX2 (0.37) OPRD1TBXA2RPTGDRSCN9AALDH1A1
SCHEMBL977864 0.87 BACE1 (0.34)
SCHEMBL977037 0.87 MAPT (0.36) OPRD1IGF1RKMT2ANPSR1KDM4E

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 OPRD1 144/4885TBXA2R 21/4885PTGDR 23/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B OPRD1 144/4885TBXA2R 21/4885PTGDR 23/4885

“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.