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SCHEMBL46367

SCHEMBL46367

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.54
▸ CTSS P25774 3/20 0.54
▸ CYP26A1 O43174 1/20 0.50
▸ MAPT P10636 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GABRB1 P18505 1/20 0.45
▸ GABRB2 P47870 1/20 0.45

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
SCHEMBL348499 1.00 CTSK (0.54) CTSKCTSSCYP26A1MAPTSMN1; SMN2
SCHEMBL348500 1.00 CTSK (0.54) CTSKCTSSCYP26A1MAPTSMN1; SMN2
SCHEMBL6755856 0.92 CTSA (0.53) CTSKCTSSSMN1; SMN2ATMCTSL
SCHEMBL4771458 0.90 CTSK (0.51) CTSKCTSSMAPTATMCTSL
SCHEMBL28163808 0.90 CTSK (0.51) CTSKCTSSMAPTATMCTSL
SCHEMBL6367958 0.90 CTSK (0.53) CTSKCTSSMAPTATMCTSL
SCHEMBL28859554 0.90 CTSK (0.53) CTSKCTSSMAPTATMCTSL
SCHEMBL13844405 0.90 CTSK (0.53) CTSKCTSSMAPTATMCTSL
SCHEMBL18989467 0.89 CTSK (0.51) CTSKCTSSCYP26A1MAPTCTSL
SCHEMBL18989472 0.89 CTSK (0.51) CTSKCTSSCYP26A1MAPTCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709725-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Progentos Therapeutics, Inc. (US) 2026-03-18 — — EP disclosed
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 — — US disclosed
WO-2025085560-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 — — WO disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 — — EP disclosed
CN-109790114-B Novel chiral ligand, metal chelate, various unnatural amino acids and synthesis method of maraviroc and key intermediate thereof 中国科学院上海药物研究所 2025-03-07 — — CN disclosed
WO-2024233642-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PROGENTOS THERAPEUTICS, INC. (US) 2024-11-14 — — WO disclosed
US-20220411362-A1 DITERPENOID COMPOUNDS THAT ACT ON PROTEIN KINASE C (PKC) K-GEN THERAPEUTICS, INC. 2022-12-29 — — US disclosed
CN-113549073-B Pyrazolo [1,5-a ] pyrimidine derivatives as JAK inhibitors 成都先导药物开发股份有限公司 2022-07-12 — — CN disclosed
CN-113549073-A Pyrazolo [1,5-a ] pyrimidine derivatives as JAK inhibitors 成都先导药物开发股份有限公司 2021-10-26 — — CN disclosed
US-10875883-B2 Method for synthesizing novel chiral ligand, metal chelate, a variety of non-natural amino acids, maraviroc and key intermediate thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-12-29 — — US disclosed
WO-2003042178-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2003-05-22 — — WO disclosed
WO-2003030898-A1 MODULATORS OF CCR5 CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2003-04-17 — — WO disclosed
US-6511994-B2 For prophylaxis and therapy of infection by HIV and the treatment of AIDS MERCK & CO., INC. 2003-01-28 — — US disclosed
US-20020193407-A1 Modulators of CCR5 chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-12-19 — — US disclosed
WO-2002070479-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS ASTRAZENECA AB (SE) 2002-09-12 — — WO disclosed
US-20020013337-A1 Tropane derivatives useful in therapy PHIVCO-1 LLC 2002-01-31 — — US disclosed
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 — — EP disclosed
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 — — US disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 — — US disclosed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 — — 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 (5 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-20020193407-A1 Modulators of CCR5 chemokine receptor activity CCR5, CXCR3, CXCR1 CTSK 2987/4885CTSS 2286/4885CYP26A1 2196/4885
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 CTSK 4661/4885CTSS 4022/4885CYP26A1 918/4885
US-10875883-B2 Method for synthesizing novel chiral ligand, metal chelate, a variety of non-natural amino acids, maraviroc and key intermediate thereof PRMT3, GRIN3A, RAMP3 CTSK 2360/4885CTSS 1958/4885CYP26A1 991/4885
US-20220411362-A1 DITERPENOID COMPOUNDS THAT ACT ON PROTEIN KINASE C (PKC) PRKCA, PRKCH, PRKCB CTSK 2067/4885CTSS 3848/4885CYP26A1 4507/4885
US-20020013337-A1 Tropane derivatives useful in therapy ADRB3, ADRA1A, ADRB2 CTSK 1279/4885CTSS 535/4885CYP26A1 88/4885

“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.