SCHEMBL7428585

SCHEMBL7428585

CC(C)(C)OC(=O)NC1CSCCN(CC(=O)O)C1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 5/20 0.43
▸ CASP8 Q14790 4/20 0.43
▸ F2 P00734 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ SRC P12931 6/20 0.42
▸ GAA P10253 1/20 0.40
▸ ACE P12821 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ CTSD P07339 1/20 0.35
▸ BACE1 P56817 1/20 0.35

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
SCHEMBL10833244 0.89 F2 (0.42) CASP1CASP8F2F10PRSS1
SCHEMBL5903395 0.86 SRC (0.42) CASP1CASP8F2F10PRSS1
SCHEMBL8081478 0.84 F2 (0.51) F2F10PRSS1GAAACE
SCHEMBL7292123 0.84 F2 (0.51) F2F10PRSS1GAAACE
SCHEMBL13818390 0.83 SRC (0.54) CASP1CASP8SRC
SCHEMBL13818416 0.83 SRC (0.44) CASP1CASP8F2F10PRSS1
SCHEMBL11200464 0.83 SRC (0.44) CASP1CASP8F2F10PRSS1
SCHEMBL203869 0.81 F2 (0.59) F2F10PRSS1GAAACE
SCHEMBL2707140 0.81 F2 (0.59) F2F10PRSS1GAAACE
SCHEMBL203868 0.81 F2 (0.59) F2F10PRSS1GAAACE

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
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
US-4460579-A HYPOTENSIVE AGENTS, ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1984-07-17 — — US disclosed
Send feedback