SCHEMBL6971472

SCHEMBL6971472

C#C[C@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CTSK P43235 13/20 0.43
CTSS P25774 9/20 0.42
CYP2D6 P10635 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 1/20 0.37

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
SCHEMBL6968497 1.00 CA1 (0.45) CA1CA2CA7CTSKCTSS
SCHEMBL20803246 0.86 CA1 (0.42) CA1CA2CA7CTSKCTSS
SCHEMBL12635077 0.86 CTSK (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL6977978 0.86 CTSK (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL12635071 0.86 CTSK (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL24046184 0.84 CA1 (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL26129038 0.84 CA1 (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL26129040 0.84 CA1 (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL3212391 0.84 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL2405498 0.84 CA1 (0.46) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025264954-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2025-12-26 WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076620-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
EP-1157019-B1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 HOFFMANN LA ROCHE (CH) 2003-03-19 EP disclosed
CN-1330647-A 4-alkenyl (and alkynyl) oxindoles as inhibitors of cell cycle protein dependent kinases, in particular CDK2 HOFFMANN LA ROCHE (CH) 2002-01-09 CN disclosed
EP-1157019-A1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 F. HOFFMANN-LA ROCHE AG (CH) 2001-11-28 EP disclosed
US-6303793-B1 INTERMEDIATES FOR CYCLIN-DEPENDENT KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2001-10-16 US disclosed
US-6252086-B1 CYCLIN-DEPENDENT KINASES INHIBITORS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2001-06-26 US disclosed
US-6130239-A INHIBIT CYCLIN-DEPENDENT KINASES HOFFMANN-LA ROCHE INC. (US) 2000-10-10 US disclosed
WO-2000035908-A1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed