SCHEMBL6049848

SCHEMBL6049848

O=C(O)C[C@@H](NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1)c1cc(Cl)cc(Br)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 20/20 1.00
ITGB6 P18564 14/20 1.00
ITGB1 P05556 5/20 1.00
ITGA5 P08648 5/20 1.00
ITGB8 P26012 5/20 1.00
ITGB5 P18084 4/20 1.00
ITGA8 P53708 4/20 1.00
ITGA2B P08514 2/20 1.00

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
SCHEMBL6679570 1.00 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6683607 1.00 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL19090834 1.00 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6225944 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6225812 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6805932 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL8334397 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6221693 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6224245 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6682740 0.93 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572210-A1 THE R-ISOMER OF BETA AMINO ACID COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES Pharmacia Corporation (US) 2005-09-14 EP claimed
US-20050020505-A1 R-isomer of beta amino acid compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-01-27 US claimed
US-6833373-B1 N-(3-hydroxy-5-((1,4,5,6-tetrahydro-5-hydroxy-2-pyrimidinyl) -amino)-benzoyl)glycyl-3-(3-bromo-5-chloro-2-hydroxyphenyl)-b-alanine and tamoxifen; breast cancer G.D. SEARLE & CO. 2004-12-21 US claimed
WO-2004060376-A1 THE R-ISOMER OF BETA AMINO ACID COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPRATION (US) 2004-07-22 WO claimed
EP-1435967-A2 METHODS FOR PREVENTING AND TREATING BONE LOSS WITH STEROID COMPOUNDS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
US-20040082557-A1 Methods for treating estrogen-dependent disorders PHARMACIA ITALIA S.P.A. (IT) 2004-04-29 US claimed
US-6689787-B1 POTENTIATING TUMOR RESPONSE G. D. SEARLE & CO. 2004-02-10 US claimed
US-20040024044-A1 Exemestane as chemopreventing agent PHARMACIA ITALIA S.P.A. (IT) 2004-02-05 US claimed
EP-1377298-A2 COMBINED METHOD FOR TREATING HORMONO-DEPENDENT DISORDERS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP claimed
EP-1317270-A1 EXEMESTANE FOR THE TREATMENT OF OESTROGEN-DEPENDENT CANCERS Pharmacia Italia S.p.A. (IT) 2003-06-11 EP claimed
WO-2003032961-A2 METHODS FOR PREVENTING AND TREATING BONE LOSS WITH STEROID COMPOUNDS PHARMACIA ITALIA SPA (IT) 2003-04-24 WO claimed
WO-2002072106-A2 COMBINED METHOD FOR TREATING HORMONO-DEPENDENT DISORDERS WITH EXEMESTANE PHARMACIA ITALIA SPA (IT) 2002-09-19 WO claimed
WO-2002020020-A1 EXEMESTANE AS CHEMOPREVENTING AGENT PHARMACIA ITALIA S.P.A. (IT) 2002-03-14 WO claimed
EP-1140193-A2 USE OF AN INTEGRIN ANTAGONIST AND ONE OR MORE ANTINEOPLASTIC AGENTS AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
WO-2000038665-A2 USE OF AN INTEGRIN ANTAGONIST AND ONE OR MORE ANTINEOPLASTIC AGENTS AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
EP-1377298-B1 EXEMESTANE FOR TREATING HORMONO-DEPENDENT DISORDERS PFIZER ITALIA SRL (IT) 2006-08-30 EP disclosed
EP-1594459-A2 DRUG DELIVERY FROM RAPID GELLING POLYMER COMPOSITION ANGIOTECH INTERNATIONAL AG (CH) 2005-11-16 EP disclosed
EP-1140177-A2 USE OF AN INTEGRIN ANTAGONIST AND RADIATION IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
WO-2000038719-A1 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND AN INTEGRIN ANTAGONIST IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000038715-A2 USE OF AN INTEGRIN ANTAGONIST AND RADIATION IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 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 (2 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-20050020505-A1 R-isomer of beta amino acid compounds as integrin receptor antagonists derivatives ITGA5, ITGAL, ITGB5 ITGB3 9/4885ITGAV 4/4885ITGB6 6/4885
US-20040082557-A1 Methods for treating estrogen-dependent disorders CYP19A1, BRCA1, ESR2 ITGB3 918/4885ITGAV 2117/4885ITGB6 1908/4885

“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.