SCHEMBL3865096

SCHEMBL3865096

CC(C)(C)OC(=O)Oc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.64
ITGA2B P08514 14/20 0.64
ACE P12821 1/20 0.54
ITGAV P06756 1/20 0.54
PTPN1 P18031 2/20 0.53
PPARA Q07869 1/20 0.53
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL3865100 1.00 ITGB3 (0.64) ITGB3ITGA2BACEITGAVPTPN1
SCHEMBL9636970 0.89 ITGB3 (0.65) ITGB3ITGA2BITGAVCTSLCTSB
SCHEMBL11747900 0.89 ITGB3 (0.65) ITGB3ITGA2BITGAVCTSLCTSB
SCHEMBL9157537 0.89 ITGB3 (0.65) ITGB3ITGA2BITGAVCTSLCTSB
SCHEMBL14343235 0.87 ITGB3 (0.65) ITGB3ITGA2BACEITGAVPTPN1
SCHEMBL16909032 0.87 ITGB3 (0.65) ITGB3ITGA2BACEITGAVPTPN1
SCHEMBL1087185 0.87 ITGB3 (0.65) ITGB3ITGA2BACEITGAVPTPN1
SCHEMBL3864558 0.87 ITGB3 (0.50) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL630884 0.86 ITGB3 (0.69) ITGB3ITGA2BITGAVCTSLCTSB
SCHEMBL630885 0.86 ITGB3 (0.69) ITGB3ITGA2BITGAVCTSLCTSB

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-7521469-B2 Phosphinic amino acid compounds LES LABORATOIRES SERVIER (FR) 2009-04-21 US disclosed
US-20080153890-A1 Phosphinic Amino Acid Compounds LES LABORATOIRES SERVER (FR) 2008-06-26 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-20080153890-A1 Phosphinic Amino Acid Compounds NPR1, NPPA, AADAT ITGB3 3973/4885ITGA2B 4471/4885ACE 139/4885

“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.