Sugi Predict

Sugi Predict / Compounds / SCHEMBL30037067

SCHEMBL30037067

SCHEMBL30037067

CC(=O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 1.00
▸ EDNRB P24530 2/20 0.71

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
SCHEMBL2770488 1.00 EDNRA (1.00) EDNRAEDNRB
SCHEMBL12933846 0.95 EDNRA (0.90) EDNRAEDNRB
SCHEMBL12933849 0.95 EDNRA (0.90) EDNRAEDNRB
SCHEMBL12933883 0.94 EDNRA (0.88) EDNRAEDNRB
SCHEMBL12933850 0.92 EDNRA (0.85) EDNRAEDNRB
SCHEMBL12933851 0.92 EDNRA (0.85) EDNRAEDNRB
SCHEMBL12933869 0.92 EDNRA (0.85) EDNRAEDNRB
SCHEMBL12933855 0.92 EDNRA (0.85) EDNRAEDNRB
SCHEMBL434551 0.91 EDNRA (1.00) EDNRAEDNRB
SCHEMBL12933877 0.91 EDNRA (0.82) EDNRAEDNRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347605-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS The Trustees of Columbia University in the City of New York (US) 2024-04-10 — — EP disclosed
WO-2022251306-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-12-01 — — WO disclosed