SCHEMBL617475

SCHEMBL617475

CC(C)(C)OC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.48
PPARG P37231 7/20 0.48
CTSK P43235 6/20 0.48
CTSS P25774 5/20 0.48
ACE P12821 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
PPARD Q03181 2/20 0.46
CYP2D6 P10635 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
FOLH1 Q04609 2/20 0.43

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
SCHEMBL617476 1.00 PPARA (0.48) PPARAPPARGCTSKCTSSACE
SCHEMBL2564729 1.00 PPARA (0.48) PPARAPPARGCTSKCTSSACE
SCHEMBL29454915 0.94 CTSK (0.50) PPARAPPARGCTSKCTSSACE
SCHEMBL384624 0.92 PPARA (0.47) PPARAPPARGCTSKCTSSACE
SCHEMBL2323692 0.92 PPARA (0.47) PPARAPPARGCTSKCTSSACE
SCHEMBL6337223 0.92 PPARA (0.47) PPARAPPARGCTSKCTSSACE
SCHEMBL3880876 0.92 FOLH1 (0.42) PPARAPPARGCTSKCTSSACE
SCHEMBL17600320 0.90 CTSK (0.52) PPARAPPARGCTSKCTSSACE
SCHEMBL17600321 0.90 CTSK (0.52) PPARAPPARGCTSKCTSSACE
Benzene SCHEMBL28847299 0.89 PPARA (0.51) PPARAPPARGCTSKCTSSACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989091-B Preparation method of glutaminyl ethyl imidazole 水羊化妆品制造有限公司 2025-03-21 CN claimed
CN-115260160-B Compound of targeted fibroblast activation protein FAP, preparation method and application thereof 烟台蓝纳成生物技术有限公司 2023-06-20 CN claimed
CN-115260160-A Compound of targeted fibroblast activation protein FAP and preparation method and application thereof 烟台蓝纳成生物技术有限公司 2022-11-01 CN claimed
CN-115260278-A Preparation method and application of cryptotanshinone self-assembled prodrug micelle nanoparticles 南方医科大学 2022-11-01 CN claimed
CN-114989091-A Preparation method of glutamyl ethyl imidazole 水羊化妆品制造有限公司 2022-09-02 CN claimed
EP-0549727-A1 CARBOXYLIC ACID ESTERS OF RAPAMYCIN AMERICAN HOME PRODUCTS CORPORATION (US) 1993-07-07 EP claimed
US-5130307-A Antibody inhibitors; treating organ graft rejection, fungal infections; antiinflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-07-14 US claimed
WO-1992005179-A1 CARBOXYLIC ACID ESTERS OF RAPAMYCIN AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-02 WO claimed
US-20260008750-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING PRODUCTION OF TRIMETHYLAMINE CLEVELAND CLINIC FOUND (US) 2026-01-08 US disclosed
EP-4566608-A2 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION Gilead Sciences, Inc. (US) 2025-06-11 EP disclosed
US-20250179102-A1 THERAPEUTICS COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2025-06-05 US disclosed
EP-3778597-B1 TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USES THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2025-05-28 EP disclosed
WO-2025049064-A9 CARDIOPROTECTIVE LIPIDS AND METHODS OF USE SIGNPATH PHARMA INC. (US) 2025-05-22 WO disclosed
EP-4445900-B1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES INC (US) 2025-05-21 EP disclosed
EP-0655065-B1 27-HYDROXYRAPAMYCIN AND DERIVATIVES THEREOF AMERICAN HOME PROD (US) 1996-12-11 EP disclosed
EP-0655065-A1 27-HYDROXYRAPAMYCIN AND DERIVATIVES THEREOF. AMERICAN HOME PROD (US) 1995-05-31 EP disclosed
US-5302600-A Inducing immunosuppression; antiinflammatory agents, antifungal, antitumor and antiproliferative agents AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-12 US disclosed
WO-1994004540-A1 27-HYDROXYRAPAMYCIN AND DERIVATIVES THEREOF AMERICAN HOME PRODUCTS CORPORATION (US) 1994-03-03 WO disclosed
US-5256790-A Antibiotic AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-26 US disclosed
US-5130307-A Antibody inhibitors; treating organ graft rejection, fungal infections; antiinflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-07-14 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 (2 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-20250179102-A1 THERAPEUTICS COMPOUNDS FOR HIV VIRUS INFECTION CD4, HAVCR2, MAVS PPARA 2646/4885PPARG 2722/4885CTSK 301/4885
US-20260008750-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING PRODUCTION OF TRIMETHYLAMINE SLC6A6, BHMT2, BHMT PPARA 2593/4885PPARG 3234/4885CTSK 3175/4885

“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.