SCHEMBL7430706

SCHEMBL7430706

N[C@H]1CSC(c2ccccc2)N(CC(=O)O)C1=O

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7424298 1.00 CYP2C9 (0.41) CYP2C9CYP2C19
SCHEMBL7424303 1.00 CYP2C9 (0.41) CYP2C9CYP2C19
SCHEMBL7349416 1.00 CYP2C9 (0.41) CYP2C9CYP2C19
SCHEMBL7349406 1.00 CYP2C9 (0.41) CYP2C9CYP2C19
SCHEMBL8483604 0.84 ALDH1A1 (0.46) CYP2C9CYP2C19
SCHEMBL7344546 0.81 SIGMAR1 (0.36)
SCHEMBL7344553 0.81 SIGMAR1 (0.36)
SCHEMBL7340298 0.79 CA12 (0.43) CYP2C9CYP2C19
SCHEMBL7340501 0.79 CA12 (0.43) CYP2C9CYP2C19
SCHEMBL7340287 0.79 CA12 (0.43) CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4711884-A HYPOTENSIVE AGENTS; ANGIOTENSIN ENZYME INHIBITING ACTIVITY E. R. SQUIBB & SONS, INC. (US) 1987-12-08 US disclosed
EP-0154904-B1 ACYLAMINO OXO OR HYDROXY SUBSTITUTED ALKYLAMINO THIAZINES AND THIAZEPINES E.R. Squibb & Sons, Inc. (US) 1987-10-28 EP disclosed
EP-0154904-A1 Acylamino oxo or hydroxy substituted alkylamino thiazines and thiazepines E.R. Squibb & Sons, Inc. (US) 1985-09-18 EP disclosed
US-4512988-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-04-23 US disclosed
EP-0120728-A1 Thiazine and thiazepine containing compounds E.R. Squibb & Sons, Inc. (US) 1984-10-03 EP disclosed