SCHEMBL31369581

SCHEMBL31369581

CC(C)(C)OC(=O)Nc1cccc(-c2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.57
▸ ITGB3 P05106 7/20 0.54
▸ ITGAV P06756 7/20 0.54
▸ PTPN1 P18031 1/20 0.50
▸ EPHX2 P34913 1/20 0.49
▸ ACE P12821 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ MDM4 O15151 2/20 0.45
▸ TP53 P04637 2/20 0.45

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
SCHEMBL31370376 0.93 MDM2 (0.64) MDM2ITGB3ITGAVPTPN1ACE
SCHEMBL2367217 0.91 MDM2 (0.56) MDM2ITGB3ITGAVPTPN1EPHX2
SCHEMBL2307978 0.90 MDM2 (0.62) MDM2ITGB3ITGAVPTPN1EPHX2
SCHEMBL29445607 0.90 MDM2 (0.62) MDM2ITGB3ITGAVPTPN1EPHX2
SCHEMBL3728072 0.90 MDM2 (0.62) MDM2ITGB3ITGAVPTPN1EPHX2
SCHEMBL29401511 0.90 MDM2 (0.62) MDM2ITGB3ITGAVPTPN1EPHX2
SCHEMBL14039181 0.90 MDM2 (0.62) MDM2ITGB3ITGAVPTPN1EPHX2
SCHEMBL24899412 0.87 MDM2 (0.48) MDM2ITGB3ITGAVPTPN1ACE
SCHEMBL24899413 0.87 MDM2 (0.48) MDM2ITGB3ITGAVPTPN1ACE
SCHEMBL30421759 0.87 MDM2 (0.48) MDM2ITGB3ITGAVPTPN1ACE

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 MDM2 2036/4885ITGB3 4142/4885ITGAV 2622/4885

“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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