Sugi Predict

Sugi Predict / Compounds / SCHEMBL975564

SCHEMBL975564

SCHEMBL975564

N#Cc1cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)cc(C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ SLC6A9 P48067 4/20 0.35
▸ PLA2G4A P47712 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ GPX4 P36969 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ SLC6A5 Q9Y345 1/20 0.32
▸ P2RY14 Q15391 1/20 0.32
▸ CACNA2D1 P54289 2/20 0.32
▸ CACNA1B Q00975 2/20 0.32
▸ CACNB1 Q02641 2/20 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
SCHEMBL979165 0.90 SLC6A9 (0.36) SLC6A9CNR1GPX4KDM4EALDH1A1
SCHEMBL975244 0.88 WDR5 (0.44) WDR5SLC6A9CNR1GPX4MEN1
SCHEMBL977665 0.88 CNR1 (0.35) SLC6A9CNR1CYP2D6CYP2C9SLC6A5
SCHEMBL977666 0.88 CNR1 (0.35) SLC6A9CNR1CYP2D6CYP2C9SLC6A5
SCHEMBL974408 0.86 WDR5 (0.41) WDR5SLC6A9CNR1GPX4MEN1
SCHEMBL977114 0.86 WDR5 (0.41) WDR5SLC6A9CNR1GPX4ALDH1A1
SCHEMBL974202 0.86 WDR5 (0.41) WDR5SLC6A9CNR1GPX4LMNA
SCHEMBL977233 0.86 CNR1 (0.35) SLC6A9CNR1GPX4KDM4EALDH1A1
SCHEMBL976396 0.86 NSD2 (0.34) SLC6A9CNR1KDM4EALDH1A1LMNA
SCHEMBL974779 0.86 CNR1 (0.35) SLC6A9CNR1GPX4KDM4EALDH1A1

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 WDR5 2893/4885MRGPRX4 173/4885SLC6A9 2158/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B WDR5 2893/4885MRGPRX4 173/4885SLC6A9 2158/4885

“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.