SCHEMBL478597

SCHEMBL478597

CC(C)(C)OC(=O)NC(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
SCHEMBL478595 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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-3983408-A1 PHENETHYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS WITH AN N-1 BRANCHED GROUP 3M Innovative Properties Company (US) 2022-04-20 EP disclosed
CN-113906027-A Phenethyl substituted imidazo [4,5-c ] quinoline compounds with N-1 branched groups 3M创新有限公司 2022-01-07 CN disclosed
CN-108699106-B Novel trifluoromethylpropionamide derivatives as HTRA1 inhibitors 豪夫迈·罗氏有限公司 2021-11-30 CN disclosed
US-11059858-B2 Difluoroketamide derivatives as HtrA1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-07-13 US disclosed
US-20210163402-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE, INC. 2021-06-03 US disclosed
CN-112867705-A Opioid receptor modulators and products and methods related thereto 埃皮欧黛公司 2021-05-28 CN disclosed
US-20060247224-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-11-02 US disclosed
US-7094909-B2 Reacting an amide compound containing hydroxy and a carboxyl group and having benzene ring, with a halogenated alkyl aminocarbonyl-pyrrolidine with 2-fluoro groups substituted at the ring carbon, by amindation of amine and carboxyl group AGOURON PHARMACEUTICALS, INC. (US) 2006-08-22 US disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 US disclosed
US-20050124683-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2005-06-09 US disclosed
US-20050010031-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2005-01-13 US disclosed
US-20040204591-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2004-10-14 US disclosed
EP-1409466-A2 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2004-04-21 EP disclosed
US-20030225071-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis PFIZER INC. 2003-12-04 US disclosed
WO-2002100844-A2 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-6432980-B1 PREVENTION OF COCCIDIOSIS IN POULTRY MERCK & CO., INC. 2002-08-13 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 (9 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-20050010031-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R CTSS 4607/4885CTSK 4675/4885ACE 4632/4885
US-11059858-B2 Difluoroketamide derivatives as HtrA1 inhibitors HTRA1, HTR1A, HTR1E CTSS 1017/4885CTSK 692/4885ACE 1460/4885
US-20030225071-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, FURIN, PEPD CTSS 18/4885CTSK 58/4885ACE 17/4885
US-20210163402-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO OPRM1, OPRD1, OPRK1 CTSS 3621/4885CTSK 3958/4885ACE 2786/4885
US-20050124683-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis PEPD, SERPINB1, ACE CTSS 12/4885CTSK 33/4885ACE 3/4885
US-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU CTSS 1158/4885CTSK 1629/4885ACE 1332/4885
US-20040204591-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis FURIN, PREP, PRSS1 CTSS 29/4885CTSK 63/4885ACE 6/4885
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
US-20060247224-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R CTSS 4619/4885CTSK 4667/4885ACE 4591/4885

“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.