SCHEMBL21481085

SCHEMBL21481085

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)OC)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](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
SCHEMBL29612356 1.00 CASP3 (0.57) CASP3CASP1CASP9CASP6CASP8
SCHEMBL20257265 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12133720-B2 Methods and compositions for restoring homeostatic capacity of a subject Palo Alto Investors LP (US) 2024-11-05 US disclosed
EP-3312273-B1 PROTEIN DEGRADATION INDUCING TAG AND USAGE THEREOF UNIV TOKYO SCIENCE FOUND (JP) 2024-07-24 EP disclosed
EP-4397770-A1 STABILISATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS PreAnalytiX GmbH (CH) 2024-07-10 EP disclosed
US-20240024405-A1 COMPOSITIONS OF CASPASE INHIBITORS AND METHODS OF USE THEREOF THE UNIVERSITY OF HONG KONG (CN) 2024-01-25 US disclosed
US-20240024405-A1 COMPOSITIONS OF CASPASE INHIBITORS AND METHODS OF USE THEREOF THE UNIVERSITY OF HONG KONG (CN) 2024-01-25 US disclosed
US-20240024405-A1 COMPOSITIONS OF CASPASE INHIBITORS AND METHODS OF USE THEREOF THE UNIVERSITY OF HONG KONG (CN) 2024-01-25 US disclosed
EP-3401406-B1 STABILISATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS PREANALYTIX GMBH (CH) 2023-11-29 EP disclosed
US-11459586-B2 Methods for increasing efficiency of nuclease-mediated gene editing in stem cells PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-10-04 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-11007269-B2 P53 degradation inducing molecule and pharmaceutical composition TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2021-05-18 US disclosed
US-20190314508-A1 P53 DEGRADATION INDUCING MOLECULE AND PHARMACEUTICAL COMPOSITION TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2019-10-17 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 (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-20190314508-A1 P53 DEGRADATION INDUCING MOLECULE AND PHARMACEUTICAL COMPOSITION TP53, TP53BP1, MDM2 CASP3 626/4885CASP1 919/4885CASP9 1215/4885
US-20240024405-A1 COMPOSITIONS OF CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP6, CASP1, CASP3 CASP3 3/4885CASP1 2/4885CASP9 11/4885
US-11007269-B2 P53 degradation inducing molecule and pharmaceutical composition TP53, TP53BP1, MDM2 CASP3 626/4885CASP1 919/4885CASP9 1215/4885

“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.