SCHEMBL20630581

SCHEMBL20630581

C=CCCC(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)OCC#N

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 19/20 0.46
CTSV O60911 18/20 0.46
CTSS P25774 18/20 0.46
CTSK P43235 14/20 0.46
CTSB P07858 11/20 0.46

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
SCHEMBL20630582 1.00 CTSL (0.46) CTSLCTSVCTSSCTSKCTSB
SCHEMBL21895954 0.90 CTSL (0.39) CTSLCTSVCTSSCTSKCTSB
SCHEMBL28366266 0.90 CTSL (0.39) CTSLCTSVCTSSCTSKCTSB
SCHEMBL7074223 0.88 ACE (0.47) CTSLCTSSCTSKCTSB
SCHEMBL7074221 0.88 ACE (0.47) CTSLCTSSCTSKCTSB
SCHEMBL15083401 0.88 CTSB (0.45) CTSLCTSSCTSKCTSB
SCHEMBL16288443 0.88 CTSB (0.45) CTSLCTSSCTSKCTSB
SCHEMBL22686106 0.84 CTSS (0.48) CTSLCTSSCTSKCTSB
SCHEMBL21837702 0.84 ALDH1A1 (0.41)
SCHEMBL21837699 0.84 ALDH1A1 (0.41)

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
CN-110869544-B Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-03-08 CN disclosed
US-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-04-30 US disclosed
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 EP disclosed
EP-3424941-A1 PRODUCTION METHOD FOR NONCYCLIC PEPTIDE-NUCLEIC ACID COMPLEX HAVING, AT N-TERMINAL, AMINO ACID WITH THIOL GROUP NEAR AMINO GROUP, LIBRARY THEREOF, AND CYCLIC PEPTIDE-NUCLEIC ACID COMPLEX LIBRARY DERIVED FROM SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2019-01-09 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 (1 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-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME VIP, SLC7A1, TRPV1 CTSL 974/4885CTSV 1461/4885CTSS 2046/4885

“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.