SCHEMBL25718152

SCHEMBL25718152

CC(C(=O)OCc1ccccc1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.52
▸ KMT2A Q03164 2/20 0.48
▸ TNF P01375 1/20 0.47
▸ MDM4 O15151 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44

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
SCHEMBL25718153 1.00 CASP3 (0.52) CASP3KMT2ATNFMDM4TP53
SCHEMBL377774 0.88 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL25718046 0.88 CASP3 (0.48) CASP3KMT2ATNFMDM4TP53
SCHEMBL25718050 0.88 CASP3 (0.48) CASP3KMT2ATNFMDM4TP53
SCHEMBL13695275 0.88 CTSL (0.53) CASP3KMT2ATNFEPHX2HDAC1
SCHEMBL20401006 0.88 CTSL (0.53) CASP3KMT2ATNFEPHX2HDAC1
SCHEMBL30638167 0.88 CTSL (0.53) CASP3KMT2ATNFEPHX2HDAC1
SCHEMBL13694941 0.88 CTSL (0.53) CASP3KMT2ATNFEPHX2HDAC1
SCHEMBL29401180 0.88 CTSL (0.53) CASP3KMT2ATNFEPHX2HDAC1
SCHEMBL120703 0.87 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174576-A1 BETA-STRAND BRIDGE PEPTIDE KYOTO UNIVERSITY (JP) 2023-06-08 — — US 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-20230174576-A1 BETA-STRAND BRIDGE PEPTIDE IAPP, SPPL2B, VIP CASP3 2595/4885KMT2A 4043/4885TNF 1291/4885

“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.

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