SCHEMBL31369465

SCHEMBL31369465

CC(C)(C)OC(=O)NCCOc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 9/20 0.58
▸ ITGA2B P08514 9/20 0.58
▸ PTPN1 P18031 2/20 0.53
▸ MDM2 Q00987 1/20 0.47
▸ SUCNR1 Q9BXA5 1/20 0.46
▸ MDM4 O15151 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ITGAV P06756 1/20 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
SCHEMBL31000632 1.00 ITGB3 (0.58) ITGB3ITGA2BPTPN1MDM2SUCNR1
SCHEMBL2022391 1.00 ITGB3 (0.58) ITGB3ITGA2BPTPN1MDM2SUCNR1
SCHEMBL25356527 1.00 ITGB3 (0.58) ITGB3ITGA2BPTPN1MDM2SUCNR1
SCHEMBL13762822 0.97 ITGB3 (0.60) ITGB3ITGA2BPTPN1MDM2SUCNR1
SCHEMBL31688591 0.97 ITGB3 (0.60) ITGB3ITGA2BPTPN1MDM2SUCNR1
SCHEMBL25357497 0.89 ITGB3 (0.54) ITGB3ITGA2BMDM4TP53
SCHEMBL25357491 0.89 ITGB3 (0.54) ITGB3ITGA2BMDM4TP53
SCHEMBL25355380 0.88 MDM2 (0.46) ITGB3ITGA2BPTPN1MDM2MDM4
SCHEMBL25355374 0.88 MDM2 (0.46) ITGB3ITGA2BPTPN1MDM2MDM4
SCHEMBL31369591 0.88 ITGB3 (0.54) ITGB3ITGA2BPTPN1MDM2MDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 ITGB3 4142/4885ITGA2B 3266/4885PTPN1 4311/4885

“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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