Sugi Predict

Sugi Predict / Compounds / SCHEMBL979165

SCHEMBL979165

SCHEMBL979165

COC(=O)c1cc(C#N)cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ OPRD1 P41143 2/20 0.34
▸ GPX4 P36969 2/20 0.34
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ P2RY12 Q9H244 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL975564 0.90 WDR5 (0.39) SLC6A9OPRD1GPX4ALDH1A1LMNA
SCHEMBL975275 0.89 SLC6A9 (0.39) SLC6A9ATMOPRD1GPX4MAPT
SCHEMBL977237 0.88 SLC6A9 (0.37) SLC6A9ATMOPRD1GPX4MAPT
SCHEMBL975711 0.86 SLC6A9 (0.37) SLC6A9ATMOPRD1GPX4MAPT
SCHEMBL977022 0.86 SLC6A9 (0.37) SLC6A9ATMOPRD1GPX4MAPT
SCHEMBL977666 0.86 CNR1 (0.35) SLC6A9CNR1SCN9ACYP2C9
SCHEMBL977665 0.86 CNR1 (0.35) SLC6A9CNR1SCN9ACYP2C9
SCHEMBL977233 0.85 CNR1 (0.35) SLC6A9GPX4ALDH1A1LMNACNR1
SCHEMBL974779 0.85 CNR1 (0.35) SLC6A9GPX4ALDH1A1LMNACNR1
SCHEMBL976058 0.84 ATM (0.38) SLC6A9ATMCNR1

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 2158/4885ATM 3498/4885OPRD1 144/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885ATM 3498/4885OPRD1 144/4885

“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.