SCHEMBL478595

SCHEMBL478595

CC(C)(C)OC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.74
CTSK P43235 6/20 0.74
ACE P12821 2/20 0.64
PTPN1 P18031 1/20 0.58
CTSB P07858 4/20 0.56
CTSL P07711 2/20 0.55
PPARA Q07869 2/20 0.53
PPARG P37231 2/20 0.53
SCN9A Q15858 2/20 0.52
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
JAK2 O60674 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
ATM Q13315 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL478597 1.00 CTSS (0.74) CTSSCTSKACEPTPN1CTSB
SCHEMBL29400678 1.00 CTSS (0.74) CTSSCTSKACEPTPN1CTSB
SCHEMBL1269412 1.00 CTSS (0.74) CTSSCTSKACEPTPN1CTSB
SCHEMBL21447200 0.89 CTSS (0.69) CTSSCTSKACEPTPN1CTSB
SCHEMBL11996607 0.88 CTSS (0.60) CTSSCTSKACEPTPN1CTSB
SCHEMBL3725051 0.88 CTSS (0.60) CTSSCTSKACEPTPN1CTSB
SCHEMBL3725052 0.88 CTSS (0.60) CTSSCTSKACEPTPN1CTSB
SCHEMBL10151228 0.88 CTSK (0.62) CTSSCTSKACEPTPN1CTSB
SCHEMBL13744414 0.88 CTSK (0.62) CTSSCTSKACEPTPN1CTSB
SCHEMBL3554137 0.88 ACE (0.64) CTSSCTSKACEPTPN1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874803-A Antibacterial dendritic polyester polymer and preparation method and application thereof 清华大学深圳国际研究生院 2023-10-13 CN claimed
EP-3774722-B1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE INC (US) 2024-07-24 EP disclosed
US-20240057599-A1 METHODS FOR IMPROVING FRUIT QUALITY THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2024-02-22 US disclosed
US-11812746-B2 Method of controlling fungal infections in plants THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2023-11-14 US disclosed
CN-116874803-A Antibacterial dendritic polyester polymer and preparation method and application thereof 清华大学深圳国际研究生院 2023-10-13 CN disclosed
WO-2023109926-A1 SPIROOXINDOLE COMPOUND AND USE THEREOF IN PREPARATION OF PROTEASE INHIBITOR AS ANTIVIRAL DRUG 南京药石科技股份有限公司 2023-06-22 WO disclosed
US-20230138310-A1 PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND FRONTIER BIOTECHNOLOGIES INC. (CN) 2023-05-04 US disclosed
EP-4098653-A1 PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-12-07 EP disclosed
US-20220194935-A1 PHENETHYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS WITH AN N-1 BRANCHED GROUP SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2022-06-23 US disclosed
US-11352316-B2 Opioid receptor modulators and products and methods related thereto EPIODYNE, INC. (US) 2022-06-07 US disclosed
EP-0720601-A1 GASTRIN AND CCK RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1996-07-10 EP disclosed
EP-0719251-A1 BICYCLO (2.2.2) OCTANE DERIVATIVES CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1996-07-03 EP disclosed
US-5514683-A LIGANDS FKOR CHOLECYSTOKININ OR GASTRIN RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 1996-05-07 US disclosed
WO-1995032949-A1 GASTRIN AND CCK ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1995-12-07 WO disclosed
WO-1995005359-A1 BICYCLO (2.2.2) OCTANE DERIVATIVES CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1995-02-23 WO disclosed
WO-1995004720-A2 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 1995-02-16 WO disclosed
US-5376635-A A polypeptides as diuretics, hypotensive agents BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-12-27 US disclosed
EP-0283956-B1 FLUORINE CONTAINING ATRIAL NATRIURETIC PEPTIDES BIO-MEGA INC. (CA) 1992-11-11 EP disclosed
US-5095004-A Hypotensives, diuretics BIO-MEGA INC. (CA) 1992-03-10 US disclosed
EP-0283956-A2 Fluorine containing atrial natriuretic peptides BIO-MEGA INC. (CA) 1988-09-28 EP 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 (3 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-11352316-B2 Opioid receptor modulators and products and methods related thereto OPRM1, OPRD1, OPRK1 CTSS 3621/4885CTSK 3958/4885ACE 2786/4885
US-20230138310-A1 PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND ACE, ACE2, TMPRSS2 CTSS 73/4885CTSK 176/4885ACE 1/4885
US-20220194935-A1 PHENETHYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS WITH AN N-1 BRANCHED GROUP IFNG, IFNAR1, IRF3 CTSS 2585/4885CTSK 3054/4885ACE 1811/4885

“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.