SCHEMBL4466395

SCHEMBL4466395

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CF

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 18/20 0.60
▸ CASP7 P55210 2/20 0.59
▸ CASP9 P55211 2/20 0.59
▸ CASP6 P55212 2/20 0.59
▸ CASP8 Q14790 2/20 0.59
▸ CASP1 P29466 1/20 0.59

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
SCHEMBL26071633 1.00 CASP3 (0.60) CASP3CASP7CASP9CASP6CASP8
SCHEMBL29384302 1.00 CASP3 (0.60) CASP3CASP7CASP9CASP6CASP8
SCHEMBL17494194 0.96 CASP3 (0.56) CASP3CASP7CASP9CASP6CASP8
SCHEMBL24213871 0.96 CASP3 (0.56) CASP3CASP7CASP9CASP6CASP8
SCHEMBL14646635 0.96 CASP3 (0.56) CASP3CASP7CASP9CASP6CASP8
SCHEMBL29043505 0.91 CASP3 (0.57) CASP3CASP7CASP9CASP6CASP8
SCHEMBL30376490 0.91 CASP3 (0.57) CASP3CASP7CASP9CASP6CASP8
SCHEMBL8353502 0.90 CASP3 (0.55) CASP3CASP7CASP9CASP6CASP8
SCHEMBL10084325 0.90 CASP3 (0.60) CASP3CASP7CASP9CASP6CASP8
SCHEMBL23268995 0.90 CASP3 (0.60) CASP3CASP7CASP9CASP6CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577273-B2 Small molecule modulators of gut bacterial bile acid metabolism PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2026-03-17 — — US disclosed
CN-114641280-B Small molecule regulator of intestinal bacterial bile acid metabolism 哈佛大学的校长及成员们 2025-05-27 — — CN disclosed
US-20250161334-A1 Method Of Treating, Reducing, Or Alleviating A Medical Condition In A Patient PEYMAN GHOLAM A (US) 2025-05-22 — — US disclosed
US-12226478-B2 Method of treating, reducing, or alleviating a medical condition in a patient PEYMAN GHOLAM A (US) 2025-02-18 — — US disclosed
US-12048750-B2 Tissue-homing peptide conjugates and methods of use thereof Blaze Bioscience, Inc. (US) 2024-07-30 — — US disclosed
US-20240208898-A1 ENAMINE N-OXIDES: SYNTHESIS AND APPLICATION TO HYPOXIA-RESPONSIVE PRODRUGS AND IMAGING AGENTS DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-06-27 — — US disclosed
EP-4313013-A2 ENAMINE N-OXIDES: SYNTHESIS AND APPLICATION TO HYPOXIA-RESPONSIVE PRODRUGS AND IMAGING AGENTS Dana-Farber Cancer Institute, Inc. (US) 2024-02-07 — — EP disclosed
CN-117279629-A Enamine N-oxide: synthesis and use in hypoxia responsive prodrugs and imaging agents 达纳-法伯癌症研究所公司 2023-12-22 — — CN disclosed
US-20230338520-A1 Method Of Treating, Reducing, Or Alleviating A Medical Condition In A Patient PEYMAN GHOLAM A (US) 2023-10-26 — — US disclosed
US-20230310412-A1 USE OF CASPASE INHIBITOR FOR ALLEVIATING OR TREATING OSTEOARTHRITIS LG CHEM, LTD. (KR) 2023-10-05 — — US disclosed
US-7410956-B2 Caspase inhibitor prodrugs VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-12 — — US disclosed
US-7410956-B2 Caspase inhibitor prodrugs VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-12 — — US disclosed
WO-2008056897-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-05-15 — — WO disclosed
WO-2008056898-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-05-15 — — WO disclosed
WO-2008016239-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-02-07 — — WO disclosed
WO-2006090997-A1 ISOXAZOLINE DERIVATIVE AND NOVEL PROCESS FOR ITS PREPARATION LG LIFE SCIENCES LTD. (KR) 2006-08-31 — — WO disclosed
WO-2006033551-A1 CASPASE INHIBITORS CONTAINING DICARBONYLAMINO-ISOXAZOLINE LG LIFE SCIENCES LTD. (KR) 2006-03-30 — — WO disclosed
EP-1628674-A2 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF Cytovia, Inc. (US) 2006-03-01 — — EP disclosed
WO-2004101742-A2 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC (US) 2004-11-25 — — WO disclosed
WO-2003068242-A1 PHOSPHOLIPIDS AS CASPASE INHIBITOR PRODRUGS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-08-21 — — 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 (4 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-12048750-B2 Tissue-homing peptide conjugates and methods of use thereof CXCL12, CCL2, CD44 CASP3 2361/4885CASP7 1922/4885CASP9 1442/4885
US-20230310412-A1 USE OF CASPASE INHIBITOR FOR ALLEVIATING OR TREATING OSTEOARTHRITIS CASP1, CASP2, CASP5 CASP3 6/4885CASP7 10/4885CASP9 12/4885
US-12577273-B2 Small molecule modulators of gut bacterial bile acid metabolism NR1H4, GPBAR1, FABP2 CASP3 2200/4885CASP7 2325/4885CASP9 1846/4885
US-20240208898-A1 ENAMINE N-OXIDES: SYNTHESIS AND APPLICATION TO HYPOXIA-RESPONSIVE PRODRUGS AND IMAGING AGENTS ENO1, HIF1A, HIF1AN CASP3 1062/4885CASP7 1525/4885CASP9 2961/4885

“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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