SCHEMBL3270943

SCHEMBL3270943

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Oc1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.60
CTSK P43235 5/20 0.60
ITGB3 P05106 2/20 0.60
ITGA2B P08514 2/20 0.60
ACE P12821 1/20 0.55
PTPN1 P18031 3/20 0.54
PPARA Q07869 3/20 0.50
PPARG P37231 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
FOLH1 Q04609 1/20 0.48
EPHX2 P34913 1/20 0.48
BCL2 P10415 1/20 0.48

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
SCHEMBL3270946 1.00 CTSS (0.60) CTSSCTSKITGB3ITGA2BACE
SCHEMBL231980 0.90 CTSS (0.71) CTSSCTSKITGB3ITGA2BACE
SCHEMBL1310547 0.90 CTSS (0.71) CTSSCTSKITGB3ITGA2BACE
SCHEMBL231981 0.90 CTSS (0.71) CTSSCTSKITGB3ITGA2BACE
Benzene SCHEMBL3925161 0.89 CTSS (0.70) CTSSCTSKITGB3ITGA2BACE
Benzene SCHEMBL6474758 0.89 CTSS (0.70) CTSSCTSKITGB3ITGA2BACE
SCHEMBL8669351 0.85 ITGB3 (0.65) CTSSCTSKITGB3ITGA2BACE
SCHEMBL16993952 0.85 ITGB3 (0.65) CTSSCTSKITGB3ITGA2BACE
SCHEMBL14343235 0.85 ITGB3 (0.65) CTSSCTSKITGB3ITGA2BACE
SCHEMBL28630396 0.85 CTSS (0.72) CTSSCTSKITGB3ITGA2BACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951295-B1 COMPOSITIONS FOR USE IN INHIBITING OF ALPHA-V-BETA3 MEDIATED ANGIOGENESIS SCRIPPS RESEARCH INST (US) 2010-06-09 EP disclosed
US-20060270710-A1 Methods for inhibition of angiogenesis THE SCRIPPS RESEARCH INSTITUTE 2006-11-30 US disclosed
US-20060165703-A1 Methods and compositions useful for inhibition of alpha v beta 5 mediated angiogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2006-07-27 US disclosed
US-7053041-B1 Methods and compositions useful for inhibition of αvβ5mediated angiogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2006-05-30 US disclosed
US-20040063790-A1 Methods for inhibition of angiogenesis THE SCRIPPS RESEARCH INSTITUTE 2004-04-01 US disclosed
US-20030176334-A1 Methods and compositions useful for inhibition of angiogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2003-09-18 US disclosed
US-6500924-B1 PACKAGE FOR USING ANTAGONISTS OF THE VITRONECTIN RECEPTOR ALPHA-V BETA3 COMPRISING A METALLOPROTEINASE POLYPEPTIDE OF GIVEN AMINO ACID SEQUENCE; TREATING ARTHRITIS, RHEUMATOID ARTHRITIS, RETINOPATHY AND TUMORS THE SCRIPPS RESEARCH INSTITUTE 2002-12-31 US disclosed
EP-0907661-A4 METHODS AND COMPOSITIONS USEFUL FOR INHIBITION OF alpha v beta 5 MEDIATED ANGIOGENESIS SCRIPPS RESEARCH INST (US) 2000-07-26 EP disclosed
EP-0907661-A1 METHODS AND COMPOSITIONS USEFUL FOR INHIBITION OF alpha v beta 5 MEDIATED ANGIOGENESIS The Scripps Research Institute (US) 1999-04-14 EP disclosed
WO-1997045447-A9 METHODS AND COMPOSITIONS USEFUL FOR INHIBITION OF αvβ5 MEDIATED ANGIOGENESIS 1998-03-12 WO disclosed
WO-1997045447-A1 METHODS AND COMPOSITIONS USEFUL FOR INHIBITION OF αvβ5 MEDIATED ANGIOGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-12-04 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 (4 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-20040063790-A1 Methods for inhibition of angiogenesis FLT4, ANXA3, VCAM1 CTSS 917/4885CTSK 1142/4885ITGB3 79/4885
US-20030176334-A1 Methods and compositions useful for inhibition of angiogenesis VCAM1, FLT4, TEK CTSS 1581/4885CTSK 1364/4885ITGB3 10/4885
US-20060165703-A1 Methods and compositions useful for inhibition of alpha v beta 5 mediated angiogenesis ITGA5, ITGB5, ITGAV CTSS 2377/4885CTSK 1771/4885ITGB3 11/4885
US-20060270710-A1 Methods for inhibition of angiogenesis FLT4, KDR, FLT1 CTSS 647/4885CTSK 709/4885ITGB3 5/4885

“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.