SCHEMBL21286953

SCHEMBL21286953

COC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.77
CTSS P25774 1/20 0.77
CTSK P43235 1/20 0.77
MAPT P10636 2/20 0.67
TP53 P04637 1/20 0.67
TACR1 P25103 3/20 0.66
SMN1; SMN2 Q16637 1/20 0.65
REN P00797 2/20 0.62
ACE P12821 1/20 0.59
TACR3 P29371 1/20 0.59
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
CCKBR P32239 2/20 0.57
NMBR P28336 3/20 0.57

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
SCHEMBL29419170 1.00 CTSL (0.77) CTSLCTSSCTSKMAPTTP53
SCHEMBL21269082 1.00 CTSL (0.77) CTSLCTSSCTSKMAPTTP53
SCHEMBL30375072 0.92 CTSL (0.80) CTSLCTSSCTSKMAPTTP53
SCHEMBL24726483 0.91 CTSL (0.73) CTSLCTSSCTSKMAPTTP53
SCHEMBL17807348 0.90 CTSL (0.80) CTSLCTSSCTSKMAPTTP53
SCHEMBL30374443 0.88 CTSL (0.64) CTSLCTSSCTSKMAPTTP53
SCHEMBL15145404 0.88 CTSL (0.77) CTSLCTSSCTSKMAPTTP53
SCHEMBL15145364 0.88 CTSL (0.77) CTSLCTSSCTSKMAPTTP53
SCHEMBL9834534 0.88 CTSL (0.80) CTSLCTSSCTSKMAPTTP53
SCHEMBL14300166 0.87 CTSL (0.76) CTSLCTSSCTSKMAPTTP53

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 4 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
WO-2019158506-A1 CONTINUOUS, SOLVENT-FREE AND NON-ENZYMATIC PEPTIDE SYNTHESIS BY REACTIVE EXTRUSION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-08-22 WO 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 CTSL 782/4885CTSS 1548/4885CTSK 1529/4885
US-11673912-B2 Continuous, solvent-free and non-enzymatic peptide synthesis by reactive extrusion QPCT, ANPEP, PEPD CTSL 782/4885CTSS 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.