SCHEMBL6685926

SCHEMBL6685926

CC(C)(C)OC(=O)NC(CC(=O)O)CC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.59
▸ KLK5 Q9Y337 3/20 0.53
▸ KLK7 P49862 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ PPARA Q07869 3/20 0.50
▸ CTSS P25774 3/20 0.47
▸ CTSL P07711 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CASP1 P29466 3/20 0.46
▸ CTRB1 P17538 2/20 0.46
▸ PPARG P37231 2/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ APP P05067 1/20 0.44

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
SCHEMBL6685929 1.00 SYK (0.59) SYKKLK5KLK7ATMPPARA
SCHEMBL17207697 0.93 SYK (0.59) SYKKLK5KLK7ATMPPARA
SCHEMBL3108565 0.90 SYK (0.59) SYKKLK5KLK7ATMPPARA
SCHEMBL3276799 0.90 SYK (0.59) SYKKLK5KLK7ATMPPARA
SCHEMBL1262680 0.90 SYK (0.59) SYKKLK5KLK7ATMPPARA
SCHEMBL25301720 0.90 SYK (0.62) SYKATMCTSSCTSLCASP1
SCHEMBL15928906 0.90 ATM (0.62) SYKKLK5KLK7ATMPPARA
SCHEMBL25256638 0.90 SYK (0.62) SYKATMCTSSCTSLCASP1
SCHEMBL14119009 0.90 ATM (0.62) SYKKLK5KLK7ATMPPARA
SCHEMBL25318929 0.89 SYK (0.56) SYKKLK5KLK7ATMPPARA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114796207-A Dipeptide mimetics as inhibitors of human immunoproteasome 康奈尔大学 2022-07-29 — — CN disclosed
CN-107073069-B Dipeptide mimetics as inhibitors of human immunoproteasome 康奈尔大学 2022-03-08 — — CN disclosed
CN-107207465-B Heterocyclic compounds and their use 财团法人卫生研究院 2021-09-10 — — CN disclosed
EP-3197885-B1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2020-11-18 — — EP disclosed
US-9926298-B2 Heterocyclic compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2018-03-27 — — US disclosed
US-20180009786-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2018-01-11 — — US disclosed
US-9862703-B2 Heterocyclic compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2018-01-09 — — US disclosed
EP-3197885-A2 HETEROCYCLIC COMPOUNDS AND USE THEREOF Chao, Yu-Sheng (US) 2017-08-02 — — EP disclosed
WO-2016048861-A2 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2016-03-31 — — WO disclosed
US-20160083369-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NAT HEALTH RESEARCH INSTITUTES (TW) 2016-03-24 — — US disclosed
WO-2004089362-A1 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-10-21 — — WO 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-20180009786-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF CXCL12, HPGDS, MCL1 SYK 790/4885KLK5 3861/4885KLK7 3726/4885
US-20160083369-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF CXCL12, HPGDS, MCL1 SYK 790/4885KLK5 3861/4885KLK7 3726/4885

“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.

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