SCHEMBL21896476

SCHEMBL21896476

C=CCCC(=O)N[C@@H](CCc1ccccc1Cl)C(=O)OCC#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HIF1A Q16665 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP12 P39900 1/20 0.32
MMP14 P50281 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL28362197 1.00 CTSG (0.35) CTSGCMA1SLC6A2SLC6A4SLC6A3
SCHEMBL21895861 0.87 CTSS (0.43) CTSGCMA1CTSSCTSKSMN1; SMN2
SCHEMBL21895863 0.87 CTSS (0.43) CTSGCMA1CTSSCTSKSMN1; SMN2
SCHEMBL21952404 0.86 ALDH1A1 (0.42) CTSGCMA1SLC6A2SLC6A4SLC6A3
SCHEMBL28362291 0.85 CNR2 (0.36) CTSSCTSKKMT2A
SCHEMBL21950780 0.85 CNR2 (0.36) CTSSCTSKKMT2A
SCHEMBL28366266 0.85 CTSL (0.39) ALDH1A1CTSSCTSKKMT2AHPGD
SCHEMBL21895954 0.85 CTSL (0.39) ALDH1A1CTSSCTSKKMT2AHPGD
SCHEMBL21837384 0.82 FOLH1 (0.45) CTSGCMA1SLC6A2SLC6A4SLC6A3
SCHEMBL21837383 0.82 FOLH1 (0.45) CTSGCMA1SLC6A2SLC6A4SLC6A3

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
CN-110869544-A Cyclic peptide compound having high membrane permeability and library containing same 中外制药株式会社 2020-03-06 CN 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 CTSG 2418/4885CMA1 671/4885SLC6A2 464/4885

“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.