SCHEMBL29612356

SCHEMBL29612356

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

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 6/20 0.57
CASP1 P29466 4/20 0.57
CASP9 P55211 4/20 0.57
CASP6 P55212 2/20 0.57
CASP8 Q14790 2/20 0.57
CASP4 P49662 1/20 0.57
CASP5 P51878 1/20 0.57
CASP10 Q92851 1/20 0.57
CTSB P07858 6/20 0.52
CTSK P43235 5/20 0.52
REN P00797 2/20 0.51
CASP7 P55210 2/20 0.49
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
PSMB5 P28074 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
SCHEMBL20257265 1.00 CASP3 (0.57) CASP3CASP1CASP9CASP6CASP8
SCHEMBL21481085 1.00 CASP3 (0.57) CASP3CASP1CASP9CASP6CASP8
SCHEMBL23133285 1.00 CASP3 (0.57) CASP3CASP1CASP9CASP6CASP8
SCHEMBL23133287 1.00 CASP3 (0.57) CASP3CASP1CASP9CASP6CASP8
SCHEMBL28714127 0.94 REN (0.52) CASP3CASP1CASP9CASP6CASP8
SCHEMBL29449496 0.94 REN (0.52) CASP3CASP1CASP9CASP6CASP8
SCHEMBL17814784 0.94 REN (0.52) CASP3CASP1CASP9CASP6CASP8
SCHEMBL20257264 0.94 CASP3 (0.56) CASP3CASP1CASP9CASP6CASP8
SCHEMBL23133258 0.92 CASP3 (0.57) CASP3CASP1CASP9CASP6CASP8
SCHEMBL23133257 0.92 CASP3 (0.57) CASP3CASP1CASP9CASP6CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118320091-A Compositions of caspase inhibitors and methods of use thereof 香港大学 2024-07-12 CN claimed
US-20240115649-A1 CASPASE INHIBITION TO ENHANCE REGENERATION AND REPAIR AFTER SKIN OR GUT INJURY AND TO TREAT BACTERIAL OR VIRAL INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-04-11 US claimed
US-20240024405-A1 COMPOSITIONS OF CASPASE INHIBITORS AND METHODS OF USE THEREOF THE UNIVERSITY OF HONG KONG (CN) 2024-01-25 US claimed
US-20220184172-A1 AMPK/CASPASE-6 AXIS CONTROLS LIVER DAMAGE IN NONALCOHOLIC STEATOHEPATITIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-16 US claimed
US-20250213601-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR THE TREATMENT OF VIRAL DISEASES Didenko, Kirill (US) 2025-07-03 US disclosed
CN-120091810-A Methods and highly bioavailable permeable compounds for treating viral diseases 基里尔·迪丹克 2025-06-03 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
CN-119139283-A Application of disulfiram in reducing drug resistance of BRAF mutant melanoma targeted drugs and preparation 中国人民解放军空军军医大学 2024-12-17 CN disclosed
WO-2024197320-A2 TARGETING SF3B2 FOR AXONAL PROTECTION IN CENTRAL NERVOUS SYSTEM NEURODEGENERATIVE DISEASES THE JOHNS HOPKINS UNIVERSITY (US) 2024-09-26 WO disclosed
WO-2024192340-A2 TARGETING SF3B2 FOR AXONAL PROTECTION IN CENTRAL NERVOUS SYSTEM NEURODEGENERATIVE DISEASES THE JOHNS HOPKINS UNIVERSITY (US) 2024-09-19 WO disclosed
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 WO disclosed
US-20220387565-A1 OCULAR DELIVERY OF CELL PERMEANT THERAPEUTICS FOR THE TREATMENT OF RETINAL EDEMA THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-12-08 US disclosed
EP-4087917-A1 METHODS AND COMPOSITIONS FOR PRODUCTION OF XENOGENEIC ISLET CELLS AND TREATMENT OF INSULIN-RESISTANT OR -DEFICIENT CONDITIONS WITH THE SAME Hangzhou Qihan Biotechnology Co., Ltd. (CN) 2022-11-16 EP disclosed
US-11446263-B2 Caspase inhibitor-containing drug for treating or preventing disorders caused by TGF-β, and applications thereof THE DOSHISHA (JP) 2022-09-20 US disclosed
WO-2022190064-A1 METHODS FOR IDENTIFYING SUBJECTS WITH BETACORONAVIRUS INFECTIONS WHO ARE AT RISK OF ACUTE RESPIRATORY SYNDROME AND METHODS FOR THE TREATMENT OF SAME VEXO PHARMACEUTICALS DMCC (AE) 2022-09-15 WO disclosed
US-20220202933-A1 Method Of Treating, Reducing, Or Alleviating A Medical Condition In A Patient PEYMAN GHOLAM A (US) 2022-06-30 US disclosed
EP-3049530-B1 METHOD FOR CELL-FREE PROTEIN SYNTHESIS IN THE PRESENCE OF A CASPASE INHIBITOR FRAUNHOFER GES FORSCHUNG (DE) 2022-06-22 EP disclosed
US-20220184172-A1 AMPK/CASPASE-6 AXIS CONTROLS LIVER DAMAGE IN NONALCOHOLIC STEATOHEPATITIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-16 US disclosed
CN-114456243-A Peanut functional protein AhUB4 and coding gene and application thereof 广西大学 2022-05-10 CN 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-20240024405-A1 COMPOSITIONS OF CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP6, CASP1, CASP3 CASP3 3/4885CASP1 2/4885CASP9 11/4885
US-20250213601-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR THE TREATMENT OF VIRAL DISEASES ACE2, FURIN, SARS1 CASP3 2526/4885CASP1 1215/4885CASP9 1291/4885

“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.