SCHEMBL951587

SCHEMBL951587

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.60
ECE1 P42892 1/20 0.60
CASP3 P42574 2/20 0.59
CTSL P07711 3/20 0.57
CTSS P25774 3/20 0.57
CTSB P07858 2/20 0.57
CTSK P43235 1/20 0.57
CA2 P00918 1/20 0.56
CA5A P35218 1/20 0.56
CTSD P07339 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
CASP9 P55211 1/20 0.56
CASP6 P55212 1/20 0.56
CASP8 Q14790 1/20 0.56
CAPN1 P07384 1/20 0.55

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
SCHEMBL9829372 1.00 MME (0.60) MMEECE1CASP3CTSLCTSS
SCHEMBL19776145 1.00 MME (0.60) MMEECE1CASP3CTSLCTSS
SCHEMBL10452681 0.91 MME (0.56) MMEECE1CTSLCTSSCTSB
SCHEMBL5689424 0.91 CASP3 (0.58) CASP3CTSLCTSSCTSBCTSK
SCHEMBL13637586 0.91 CASP3 (0.58) CASP3CTSLCTSSCTSBCTSK
SCHEMBL7378851 0.90 ECE1 (0.64) MMEECE1CASP3CTSLCTSS
SCHEMBL6272667 0.90 ECE1 (0.64) MMEECE1CASP3CTSLCTSS
SCHEMBL15947169 0.90 CASP3 (0.57) ECE1CASP3CTSLCTSSCTSB
SCHEMBL7327620 0.89 CAPN1 (0.64) MMEECE1CASP3CTSLCTSS
SCHEMBL19557810 0.89 CASP3 (0.61) CASP3CTSLCTSSCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351780-B2 Peptide acetals for stabilising enzymes BASF SE (DE) 2025-07-08 US claimed
US-20220267699-A1 PEPTIDE ACETALS FOR STABILISING ENZYMES BASF SE (DE) 2022-08-25 US claimed
EP-3994148-A1 PEPTIDE ACETALS FOR STABILISING ENZYMES BASF SE (DE) 2022-05-11 EP claimed
EP-4725560-A2 ANTI-B7H3 ANTIBODIES FOR THE PREPARATION OF ANTIBODY DRUG CONJUGATES (ADCS) OF KSP INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2026-04-15 EP disclosed
US-12590273-B2 Stabilized glycoside hydrolase variants NOVOZYMES A/S (DK) 2026-03-31 US disclosed
EP-4637748-A2 PNU ANTHRACYCLINE-DERIVED LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-10-29 EP disclosed
US-12391934-B2 Stabilized cellulase variants NOVOZYMES A/S (DK) 2025-08-19 US disclosed
EP-3953463-B1 STABILIZED GLYCOSIDE HYDROLASE VARIANTS NOVOZYMES AS (DK) 2025-08-06 EP disclosed
US-20250170252-A1 QUINONE PROTECTED FORMS AND CONJUGATES CAMBRIDGE ENTERPRISE LIMITED (GB) 2025-05-29 US disclosed
EP-4532480-A1 QUINONE PROTECTED FORMS AND CONJUGATES Cambridge Enterprise Limited (GB) 2025-04-09 EP disclosed
US-20250099600-A1 Active Metabolites of Kinesin Spindle Protein Inhibitor Conjugates BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2025-03-27 US disclosed
US-5847135-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-12-08 US disclosed
WO-1998053091-A1 SCREENING ASSAYS FOR AGENTS THAT ALTER INHIBITOR OF APOPTOSIS (IAP) PROTEIN REGULATION OF CASPASE ACTIVITY THE BURNHAM INSTITUTE (US) 1998-11-26 WO disclosed
US-5716929-A THERAPY FOR INFLAMMATION, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1998-02-10 US disclosed
US-5656627-A USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1997-08-12 US disclosed
EP-0784628-A1 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1997-07-23 EP disclosed
WO-1995035308-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-12-28 WO disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 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 (5 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-20220267699-A1 PEPTIDE ACETALS FOR STABILISING ENZYMES IDE, PEPD, PREP MME 123/4885ECE1 910/4885CASP3 2668/4885
US-12351780-B2 Peptide acetals for stabilising enzymes IDE, PEPD, PREP MME 123/4885ECE1 910/4885CASP3 2668/4885
US-12590273-B2 Stabilized glycoside hydrolase variants IDUA, IDE, TREH MME 542/4885ECE1 1568/4885CASP3 4067/4885
US-20250099600-A1 Active Metabolites of Kinesin Spindle Protein Inhibitor Conjugates KIF18B, KIF18A, KIF5B MME 3629/4885ECE1 3854/4885CASP3 3888/4885
US-20250170252-A1 QUINONE PROTECTED FORMS AND CONJUGATES NQO1, SQOR, GSTP1 MME 433/4885ECE1 2073/4885CASP3 1822/4885

“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.