SCHEMBL6683607

SCHEMBL6683607

O=C(O)CC(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
SCHEMBL6049848 1.00 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6679570 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156999-B1 METHOD FOR THE PREPARATION OF A CHIRAL-BETA-AMINO ESTER SEARLE LLC (US) 2004-11-17 EP disclosed
US-6660466-B1 Reacting reactive appendage compounds such as meta benzylic compounds or alpha-amide compounds with scaffold molecules having reactive functionalities and contacting the intermediate library with a reducing agent ISIS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030050250-A1 Alpha v beta 3 integrin antagonists in combination with chemotherapeutic agents PHARMACIA CORPORATION 2003-03-13 US disclosed
US-6372719-B1 1,4,5,6-TETRAHYDRO-5-HYDROXYPYRIMIDIN-2-AMINE DERIVATIVES ARE ADMINISTERED IN MIXTURE; ANTITUMOR AND ANTICARCINOGENIC AGENTS; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 2002-04-16 US disclosed
US-6172256-B1 USING A BLOCKING AGENT; DEBLOCKING WITH TRIMETHYLSILYL IODIDE G.D. SEARLE & CO. 2001-01-09 US disclosed
US-6100423-A Amino benzenepropanoic acid compounds and derivatives thereof G. D. SEARLE & CO. (US) 2000-08-08 US disclosed
US-6013651-A ANTITUMOR AGENTS; BONE DISORDERS; ANTIARTHRITIC AGENTS; SKIN DISORDERS G. D. SEARLE & CO. (US) 2000-01-11 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-20030050250-A1 Alpha v beta 3 integrin antagonists in combination with chemotherapeutic agents ITGAV, ITGB3, ITGB1 ITGB3 2/4885ITGAV 1/4885ITGB6 15/4885

“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.