SCHEMBL4838536

SCHEMBL4838536

CC(C)(C)OC(=O)NC(CO)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.49
CTSK P43235 3/20 0.49
CTSB P07858 1/20 0.49
AAK1 Q2M2I8 9/20 0.43
RIPK1 Q13546 1/20 0.43
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4838542 1.00 CTSS (0.49) CTSSCTSKCTSBAAK1RIPK1
SCHEMBL4704028 1.00 CTSS (0.49) CTSSCTSKCTSBAAK1RIPK1
SCHEMBL29676847 1.00 CTSS (0.49) CTSSCTSKCTSBAAK1RIPK1
SCHEMBL38666123 0.90 CTSK (0.47) CTSSCTSKCTSBAAK1
SCHEMBL29423245 0.90 CTSK (0.47) CTSSCTSKCTSBAAK1
SCHEMBL16410211 0.90 CTSK (0.47) CTSSCTSKCTSBAAK1
SCHEMBL28069901 0.90 CTSK (0.47) CTSSCTSKCTSBAAK1
SCHEMBL16410292 0.88 CTSS (0.48) CTSSCTSKCTSBAAK1
SCHEMBL22805508 0.87 CTSS (0.50) CTSSCTSKCTSBAAK1
SCHEMBL22690656 0.87 CTSK (0.50) CTSSCTSKCTSBAAK1ALDH1A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250270200-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2025-08-28 US disclosed
WO-2023205475-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2023-10-26 WO disclosed
CN-114948963-A Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-08-30 CN disclosed
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN disclosed
WO-2017068412-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-27 WO disclosed
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
EP-1581510-A4 1-ARYL-2-HYDROXYETHYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-08-30 EP disclosed
US-7053078-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2006-05-30 US disclosed
US-7045551-B2 1-aryl-2-hydroxyethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-16 US disclosed
EP-1581510-A2 1-ARYL-2-HYDROXYETHYL AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
EP-1289950-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-6784182-B2 AND FACTOR XA INHIBITORS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY 2004-08-31 US disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-20040122007-A1 1-aryl-2-hydroxyethyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-24 US disclosed
WO-2004047743-A2 1-ARYL-2-HYDROXYETHYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO disclosed
US-20030109706-A1 Serine pretease inhibitors ELI LILLY AND COMPANY 2003-06-12 US disclosed
US-20030078438-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2003-04-24 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US disclosed
US-20020151724-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2002-10-17 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 (7 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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 CTSS 51/4885CTSK 100/4885CTSB 141/4885
US-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN CTSS 107/4885CTSK 133/4885CTSB 179/4885
US-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 CTSS 131/4885CTSK 220/4885CTSB 210/4885
US-20040122007-A1 1-aryl-2-hydroxyethyl amides as potassium channel openers KCNQ3, KCNQ2, KCNQ4 CTSS 1946/4885CTSK 1918/4885CTSB 3131/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CTSS 201/4885CTSK 286/4885CTSB 285/4885
US-20020151724-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CTSS 201/4885CTSK 286/4885CTSB 285/4885
US-20250270200-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 CTSS 184/4885CTSK 1207/4885CTSB 1146/4885

“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.