Sugi Predict

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SCHEMBL20604252

SCHEMBL20604252

CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CSSC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 3/20 0.38
▸ FABP7 O15540 2/20 0.38
▸ CASP3 P42574 3/20 0.38
▸ MDM4 O15151 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SLC17A5 Q9NRA2 1/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL16288773 1.00 FABP5 (0.38) FABP5FABP7CASP3MDM4TP53
SCHEMBL30686160 1.00 FABP5 (0.38) FABP5FABP7CASP3MDM4TP53
SCHEMBL30744237 1.00 FABP5 (0.38) FABP5FABP7CASP3MDM4TP53
SCHEMBL16288775 1.00 FABP5 (0.38) FABP5FABP7CASP3MDM4TP53
SCHEMBL25179599 0.91 CASP3 (0.38) FABP5FABP7CASP3MDM4TP53
SCHEMBL25179598 0.91 CASP3 (0.38) FABP5FABP7CASP3MDM4TP53
SCHEMBL30802516 0.91 CASP3 (0.38) FABP5FABP7CASP3MDM4TP53
SCHEMBL16310687 0.88 FABP5 (0.40) FABP5FABP7CASP3MDM4TP53
SCHEMBL24633869 0.87 FABP5 (0.43) FABP5FABP7CASP3MDM4TP53
SCHEMBL30792912 0.87 FABP5 (0.43) FABP5FABP7CASP3MDM4TP53

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-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
US-20190338050-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 KABUSHIKI8 KAISHA (JP) 2019-11-07 — — US 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 (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-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME VIP, SLC7A1, TRPV1 FABP5 1216/4885FABP7 712/4885CASP3 3512/4885
US-20190338050-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 RNGTT, NSUN3, RNMT FABP5 3166/4885FABP7 2578/4885CASP3 3410/4885

“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.