SCHEMBL3922795

SCHEMBL3922795

CC(C)(C)OC(=O)N[C@H]([C]=O)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.60
CTSK P43235 8/20 0.60
CTSB P07858 4/20 0.60
CTSL P07711 2/20 0.60
ATM Q13315 1/20 0.59
ACE P12821 1/20 0.54
KLK5 Q9Y337 1/20 0.50
AKT1 P31749 1/20 0.49
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
APP P05067 1/20 0.48

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
SCHEMBL6292769 1.00 CTSS (0.60) CTSSCTSKCTSBCTSLATM
SCHEMBL2402235 1.00 CTSS (0.60) CTSSCTSKCTSBCTSLATM
SCHEMBL5050550 0.90 CTSS (0.69) CTSSCTSKCTSBCTSLATM
SCHEMBL7295855 0.90 CTSS (0.69) CTSSCTSKCTSBCTSLATM
SCHEMBL7295862 0.90 CTSS (0.69) CTSSCTSKCTSBCTSLATM
SCHEMBL11567443 0.89 PTPN1 (0.57) CTSSCTSKCTSBCTSLATM
SCHEMBL11210637 0.88 CTSS (0.54) CTSSCTSKCTSBCTSLATM
SCHEMBL11199973 0.88 CTSS (0.54) CTSSCTSKCTSBCTSLATM
SCHEMBL17865714 0.87 CTSS (0.58) CTSSCTSKCTSBCTSLATM
SCHEMBL7151519 0.87 CTSS (0.59) CTSSCTSKCTSBCTSLATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP claimed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO claimed
US-5821331-A INHIBIT THE PROTEOLYTIC ACTIVITY OF PROTEASES ELI LILLY AND COMPANY (US) 1998-10-13 US claimed
EP-0632051-A1 Anti-picornaviral agents ELI LILLY AND COMPANY (US) 1995-01-04 EP claimed
CN-115477685-A Application of selenium-containing polypeptide compound in preparation of antibacterial drugs 浙江工业大学 2022-12-16 CN disclosed
CN-109715605-B Process for preparing carotenoid monoesters 巴斯夫欧洲公司 2022-04-12 CN disclosed
WO-2018050793-A1 PROCESS FOR PREPARING PHOSPHONIUM SALT ESTERS AS BUILDING BLOCKS FOR CAROTENOIDES BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050792-A1 PROCESS FOR PREPARING ESTERS OF 12'-APOCAROTENALS AS BUILDING BLOCKS FOR CAROTENOIDS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050794-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050795-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
US-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 US disclosed
US-4591648-A Histidine protection NATIONAL RESEARCH DEVELOPMENT CORP. (GB) 1986-05-27 US disclosed
EP-0061933-B1 HISTIDINE PROTECTION NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-03-27 EP disclosed
EP-0017536-B1 PROCESS FOR THE PREPARATION OF SOMATOSTATINE SANOFI S.A. (FR) 1983-03-23 EP disclosed
EP-0061933-A2 Histidine protection NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1982-10-06 EP disclosed
US-4337194-A MULTISTEP, WITH PURIFICATION BY WASHING AFTER EACH COUPLING C. M. INDUSTRIES (FR) 1982-06-29 US disclosed
EP-0017536-A2 Process for the preparation of somatostatine SANOFI S.A. (FR) 1980-10-15 EP disclosed
US-4189426-A POLYPEPTIDE HOFFMANN-LA ROCHE, INC. (US) 1980-02-19 US disclosed
US-3975367-A PEPTIDE, VIRICIDE, IMMUNOSUPPRESSANT, NEOPLASTIC CELLS THE UPJOHN COMPANY (US) 1976-08-17 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 (1 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST CTSS 660/4885CTSK 1058/4885CTSB 236/4885

“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.