SCHEMBL6661008

SCHEMBL6661008

CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
SLC7A5 Q01650 1/20 0.43
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
MMP13 P45452 1/20 0.40
REN P00797 1/20 0.39
OPRK1 P41145 2/20 0.39
ADORA1 P30542 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 1/20 0.38
BLM P54132 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
FOLH1 Q04609 1/20 0.37

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
SCHEMBL8766144 1.00 CTSS (0.44) CTSSCTSKSLC7A5ITGB3ITGA2B
SCHEMBL4778626 1.00 CTSS (0.44) CTSSCTSKSLC7A5ITGB3ITGA2B
SCHEMBL25173080 0.89 PPARG (0.40) SLC7A5ITGB3ITGA2BMMP13REN
SCHEMBL1401042 0.89 MMP13 (0.46) CTSSCTSKSLC7A5ITGB3ITGA2B
SCHEMBL65502 0.89 MMP13 (0.46) CTSSCTSKSLC7A5ITGB3ITGA2B
SCHEMBL2476924 0.89 MMP13 (0.46) CTSSCTSKSLC7A5ITGB3ITGA2B
SCHEMBL1325201 0.88 MMP13 (0.39) SLC7A5ITGB3ITGA2BMMP13REN
SCHEMBL5803685 0.88 ADORA1 (0.48) ITGB3ITGA2BMMP13ADORA1
SCHEMBL20585552 0.88 TP53 (0.40) ITGB3ITGA2BMMP13RENADORA1
SCHEMBL6557867 0.88 ADORA1 (0.48) ITGB3ITGA2BMMP13ADORA1

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
EP-0624599-B1 Derivatives of mono (6-amino-desoxy)cyclodextrin substituted in position 6 with an alpha aminoacid group, process of their preparation and applications OREAL (FR) 1997-07-30 EP claimed
US-12577262-B2 Functionalized gold carbene napthaquinone complexes for use in the treatment of cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2026-03-17 US disclosed
WO-2025136798-A1 PROCESS FOR PREPARING (S)-1-((S)-2-AMINO-3-(4-METHOXYPHENYL)PROPANOYL)-N-(4-(HYDROXYMETHYL)PHENETHYL)-2-METHYLPYRROLIDINE-2-CARBOXAMIDE AND ITS INTERMEDIATES MERCK SHARP & DOHME LLC (US) 2025-06-26 WO disclosed
CN-120192280-A Synthesis of amino acid derivatives containing 1,3, 4-oxadiazole thioether and application of amino acid derivatives in resisting plant bacterial diseases 贵州大学 2025-06-24 CN disclosed
CN-119866342-A Cyclic peptides for capturing interleukin-1 beta 默沙东有限责任公司 2025-04-22 CN disclosed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
US-11834406-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-12-05 US disclosed
CN-116953246-A Method for detecting reaction intermediate by XFEL combined light activated unnatural amino acid 中国科学院生物物理研究所 2023-10-27 CN disclosed
US-11767294-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-09-26 US disclosed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 US disclosed
CN-1044098-A Compounds with vascular smooth muscle relaxing activity HIDAKA HIROYOSHI (JP) 1990-07-25 CN disclosed
EP-0081838-B1 CYCLOHEXYL AND PHENYL SUBSTITUTED ENKEPHALINS G.D. Searle & Co. (US) 1988-04-27 EP disclosed
US-4722922-A RENIN INHIBITION G. D. SEARLE & CO. (US) 1988-02-02 US disclosed
EP-0122018-B1 IMPROVEMENTS IN AND RELATING TO PHARMACOLOGICALLY ACTIVE TRIPEPTIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1987-09-02 EP disclosed
US-4603121-A ANALGESICS G. D. SEARLE & CO. (US) 1986-07-29 US disclosed
EP-0136720-A2 Enkephalin analogs G.D. Searle & Co. (US) 1985-04-10 EP disclosed
US-4495178-A Enkephalin analogs G. D. SEARLE & CO. (US) 1985-01-22 US disclosed
US-4407746-A Cyclohexyl and phenyl substituted enkephalins G. D. SEARLE & CO. (US) 1983-10-04 US disclosed
EP-0081838-A1 Cyclohexyl and phenyl substituted enkephalins G.D. Searle & Co. (US) 1983-06-22 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-11767294-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 CTSS 1448/4885CTSK 1867/4885SLC7A5 1456/4885
US-12577262-B2 Functionalized gold carbene napthaquinone complexes for use in the treatment of cancer RECQL, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS CTSS 4347/4885CTSK 2379/4885SLC7A5 626/4885
US-11834406-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 CTSS 1483/4885CTSK 1890/4885SLC7A5 1465/4885

“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.