SCHEMBL8257637

SCHEMBL8257637

COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1I

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 2/20 0.55
▸ ITGB7 P26010 2/20 0.55
▸ ACE P12821 1/20 0.55
▸ ITGB3 P05106 2/20 0.52
▸ ITGA2B P08514 2/20 0.52
▸ PTPN1 P18031 1/20 0.50
▸ PPARA Q07869 6/20 0.48
▸ PPARG P37231 5/20 0.48
▸ CTSS P25774 7/20 0.47
▸ CTSK P43235 6/20 0.47
▸ CTSB P07858 2/20 0.47
▸ FPR2 P25090 1/20 0.47
▸ ITGB1 P05556 1/20 0.46
▸ ITGAV P06756 1/20 0.46
▸ ITGB5 P18084 1/20 0.46
▸ PPARD Q03181 2/20 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
SCHEMBL20556410 1.00 ITGA4 (0.55) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL20556571 0.91 KLK5 (0.51) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL12706536 0.91 KLK5 (0.51) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL27144946 0.91 ACE (0.55) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL29641697 0.91 ACE (0.55) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL24495424 0.91 ACE (0.55) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL29641706 0.91 ACE (0.55) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL24489606 0.91 ACE (0.55) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL29726545 0.89 LDHA (0.58) ITGA4ITGB7ACEITGB3ITGA2B
SCHEMBL2675545 0.89 LDHA (0.58) ITGA4ITGB7ACEITGB3ITGA2B

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
EP-1865950-B1 COMPOUNDS USEFUL AS MODULATORS OF THE PROTEASOME ACTIVITY CENTRE NAT RECH SCIENT (FR) 2013-08-28 — — EP disclosed
US-7919468-B2 Compounds useful as modulators of the proteasome activity CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2011-04-05 — — US disclosed
US-20090069222-A1 Compounds Useful as Modulators of the Proteasome Activity CENTRE NATIONAL DE AL RECHERCHE SCIENTIFIQUE (FR) 2009-03-12 — — US disclosed
WO-2006105811-A1 COMPOUNDS USEFUL AS MODULATORS OF THE PROTEASOME ACTIVITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-10-12 — — WO 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-20090069222-A1 Compounds Useful as Modulators of the Proteasome Activity PSMB10, PSMB11, PSMB6 ITGA4 4343/4885ITGB7 4267/4885ACE 2284/4885

“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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