SCHEMBL21269701

SCHEMBL21269701

COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.60
CTSS P25774 3/20 0.55
CTSK P43235 2/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
KLK7 P49862 1/20 0.55
REN P00797 8/20 0.53
ALDH1A1 P00352 2/20 0.52
THRB P10828 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ACE P12821 1/20 0.51
CTSD P07339 1/20 0.50
ALOX15 P16050 1/20 0.50
CAPN1 P07384 1/20 0.50

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
SCHEMBL27487264 1.00 KLK5 (0.60) KLK5CTSSCTSKCTSLCTSB
SCHEMBL30375069 1.00 KLK5 (0.60) KLK5CTSSCTSKCTSLCTSB
SCHEMBL27489033 0.96 KLK5 (0.56) KLK5CTSSCTSKCTSLCTSB
SCHEMBL7294995 0.95 CTSS (0.56) KLK5CTSSCTSKCTSLCTSB
SCHEMBL16667823 0.92 KLK5 (0.64) KLK5CTSSCTSKCTSLCTSB
SCHEMBL27510152 0.92 CTSS (0.53) KLK5CTSSCTSKCTSLCTSB
SCHEMBL12890824 0.91 CTSS (0.52) KLK5CTSSCTSKCTSLCTSB
SCHEMBL7205174 0.91 REN (0.61) KLK5CTSSCTSKCTSLCTSB
SCHEMBL5303963 0.90 ALDH1A1 (0.61) CTSSCTSKCTSLCTSBREN
SCHEMBL8245888 0.90 ALDH1A1 (0.61) CTSSCTSKCTSLCTSBREN

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673912-B2 Continuous, solvent-free and non-enzymatic peptide synthesis by reactive extrusion CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-06-13 US disclosed
US-20210115085-A1 CONTINUOUS, SOLVENT-FREE AND NON-ENZYMATIC PEPTIDE SYNTHESIS BY REACTIVE EXTRUSION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-04-22 US disclosed
EP-3527580-B1 CONTINUOUS, SOLVENT-FREE AND NON-ENZYMATIC PEPTIDE SYNTHESIS BY REACTIVE EXTRUSION CENTRE NAT RECH SCIENT (FR) 2021-04-07 EP disclosed
CN-111868069-A Continuous, solvent-free and non-enzymatic peptide synthesis by reactive extrusion 国家科学研究中心(CNRS) 2020-10-30 CN disclosed
EP-3527580-A1 CONTINUOUS, SOLVENT-FREE AND NON-ENZYMATIC PEPTIDE SYNTHESIS BY REACTIVE EXTRUSION Centre National de la Recherche Scientifique CNRS (FR) 2019-08-21 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 (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-20210115085-A1 CONTINUOUS, SOLVENT-FREE AND NON-ENZYMATIC PEPTIDE SYNTHESIS BY REACTIVE EXTRUSION QPCT, ANPEP, PEPD KLK5 2786/4885CTSS 1548/4885CTSK 1529/4885
US-11673912-B2 Continuous, solvent-free and non-enzymatic peptide synthesis by reactive extrusion QPCT, ANPEP, PEPD KLK5 2786/4885CTSS 1548/4885CTSK 1529/4885

“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.