Sugi Predict

Sugi Predict / Compounds / SCHEMBL977058

SCHEMBL977058

SCHEMBL977058

NC(=O)[C@H](CO)NC(=O)c1cc(Br)cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ WDR5 P61964 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CCR1 P32246 4/20 0.32
▸ WDR91 A4D1P6 3/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ SLC6A9 P48067 1/20 0.31
▸ GRN P28799 1/20 0.31
▸ SORT1 Q99523 1/20 0.31
▸ ITGB3 P05106 2/20 0.30
▸ ITGA2B P08514 2/20 0.30
▸ DDR1 Q08345 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
SCHEMBL975653 0.94 CCR1 (0.36) CA1CA2CA12CA9WDR5
SCHEMBL977203 0.92 GRN (0.36) CA1CA2CA12CA9CCR1
SCHEMBL977820 0.90 CA1 (0.35) CA1CA2CA12CA9CCR1
SCHEMBL977298 0.90 SCN9A (0.33) CA1CA2CA12CA9CCR1
SCHEMBL974345 0.90 CA12 (0.34) CA1CA12CA9WDR5KMT2A
SCHEMBL978434 0.89 CCR1 (0.34) WDR5KMT2ACCR1SLC6A9DDR1
SCHEMBL976498 0.88 EGFR (0.38) CA1CA2CA12CA9CCR1
SCHEMBL976069 0.88 RHOC (0.36) CA1CA2CA12CA9DDR1
SCHEMBL976396 0.88 NSD2 (0.34) CA1CA2CA12CA9WDR91
SCHEMBL977629 0.87 CCR1 (0.37) CA1CA2CA12CA9CCR1

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
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 — — EP claimed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 — — US 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 CA1 4724/4885CA2 4091/4885CA12 4557/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B CA1 4724/4885CA2 4091/4885CA12 4557/4885

“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.