SCHEMBL30278708

SCHEMBL30278708

COC(=O)[C@H](Cc1ccc(C(=O)NOC2CCCCO2)c(OC)c1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.42
ITGA4 P13612 3/20 0.42
PTPN1 P18031 6/20 0.40
TNF P01375 1/20 0.36
TLR2 O60603 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
SCHEMBL22108650 1.00 ITGB1 (0.42) ITGB1ITGA4PTPN1TNFTLR2
SCHEMBL22108651 1.00 ITGB1 (0.42) ITGB1ITGA4PTPN1TNFTLR2
SCHEMBL22108655 0.95 ITGB1 (0.48) ITGB1ITGA4PTPN1TNF
SCHEMBL22108653 0.95 ITGB1 (0.48) ITGB1ITGA4PTPN1TNF
SCHEMBL29633885 0.95 ITGB1 (0.48) ITGB1ITGA4PTPN1TNF
SCHEMBL29633856 0.94 ITGB1 (0.40) ITGB1ITGA4PTPN1
SCHEMBL29633956 0.89 ITGB1 (0.42) ITGB1ITGA4PTPN1TNFTLR2
SCHEMBL29633859 0.87 CACNA1B (0.37) ITGB1ITGA4PTPN1TNFTLR2
SCHEMBL29633879 0.83 ITGB1 (0.39) ITGB1ITGA4PTPN1
SCHEMBL29633936 0.81 ITGB1 (0.34) ITGB1ITGA4

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-20230096766-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-03-30 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-20230096766-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF VIP, DNPEP, HM13 ITGB1 3789/4885ITGA4 3312/4885PTPN1 4793/4885

“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.