SCHEMBL953453

SCHEMBL953453

COCC[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.48
CTSS P25774 6/20 0.48
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARA Q07869 7/20 0.45
PPARG P37231 6/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
ACE P12821 1/20 0.44
PPARD Q03181 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL25262348 1.00 CTSK (0.48) CTSKCTSSMEN1GAAKMT2A
SCHEMBL953455 1.00 CTSK (0.48) CTSKCTSSMEN1GAAKMT2A
SCHEMBL15304806 0.88 PPARA (0.44) CTSKCTSSMEN1GAAKMT2A
SCHEMBL31036464 0.87 CTSK (0.44) CTSKCTSSCTSLCTSBCA1
SCHEMBL21938483 0.87 CTSK (0.44) CTSKCTSSCTSLCTSBCA1
SCHEMBL8270949 0.87 CTSK (0.44) CTSKCTSSCTSLCTSBCA1
SCHEMBL527131 0.86 PPARA (0.53) CTSKCTSSPPARAPPARGCTSL
SCHEMBL580779 0.86 PPARA (0.53) CTSKCTSSPPARAPPARGCTSL
SCHEMBL588912 0.86 PPARA (0.53) CTSKCTSSPPARAPPARGCTSL
SCHEMBL12004419 0.85 HDAC4 (0.50) CTSKCTSSGAAPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
EP-3917527-B1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC (US) 2025-04-23 EP disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 EP disclosed
CN-119790058-A Fused cyclic KRAS inhibitors for the treatment of diseases 荣山医药股份有限公司 2025-04-08 CN disclosed
CN-113645971-B Compounds and uses thereof 福宏治疗公司 2024-10-18 CN disclosed
EP-3935042-B1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC (KR) 2024-08-28 EP disclosed
US-12071412-B2 Caspase inhibitors and methods of use thereof NOBO MEDICINE INC. (KR) 2024-08-27 US disclosed
CN-116813505-A Method for preparing O-methyl-N-carbobenzoxy-L-homoserine 爱斯特(成都)生物制药股份有限公司 2023-09-29 CN disclosed
US-20230295171-A1 FUSED HETEROAROMATIC PYRROLIDINONES WELLS THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2023-08-10 US disclosed
CN-1914182-A Quinazoline derivatives ASTRAZENECA AB (SE) 2007-02-14 CN disclosed
EP-1713781-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-10-25 EP disclosed
US-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa GLAXO GROUP LIMITED (GB) 2006-07-27 US disclosed
EP-1532124-B1 Use of nitrile derivatives as medicament. ASTRAZENECA AB (SE) 2006-07-19 EP disclosed
US-20050245522-A1 Novel compounds ASTRAZENECA AB (SE) 2005-11-03 US disclosed
WO-2005075439-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-08-18 WO disclosed
EP-1532124-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2005-05-25 EP disclosed
WO-2004052851-A1 PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2004-06-24 WO disclosed
WO-2004000825-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-12-31 WO disclosed
EP-0402313-A1 Novel endothelin derivative Japat Ltd (CH) 1990-12-12 EP 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 (6 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-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 CTSK 68/4885CTSS 66/4885MEN1 3373/4885
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 CTSK 4661/4885CTSS 4022/4885MEN1 4664/4885
US-12071412-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 CTSK 68/4885CTSS 66/4885MEN1 3373/4885
US-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa TFPI, TFPI2, SERPINC1 CTSK 260/4885CTSS 380/4885MEN1 1732/4885
US-20050245522-A1 Novel compounds CTSS, CTSB, CTSF CTSK 8/4885CTSS 1/4885MEN1 4523/4885
US-20230295171-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN CTSK 1889/4885CTSS 1771/4885MEN1 2785/4885

“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.