SCHEMBL6474646

SCHEMBL6474646

CCOC(=O)CCCn1nc2ccc(C(=O)NCC(NC(=O)OCc3ccccc3)C(=O)OC(C)(C)C)cn2c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
ITGB3 P05106 8/20 0.39
ITGAV P06756 8/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
ITGA2B P08514 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.37
SIRT1 Q96EB6 1/20 0.37
GHSR Q92847 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
PSMB5 P28074 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL6482088 0.96 SYK (0.41) SYKITGB3ITGAVBCHEACHE
SCHEMBL6476022 0.92 ITGB3 (0.46) ITGB3ITGAVBCHEACHECACNA1F
SCHEMBL6483289 0.91 SYK (0.42) SYKITGB3ITGAVBCHEACHE
SCHEMBL6480964 0.88 ITGB3 (0.38) SYKITGB3ITGAVITGA2BPOLB
SCHEMBL6474857 0.88 ITGB3 (0.43) ITGB3ITGAVBCHEACHECACNA1F
SCHEMBL6481186 0.85 ITGB3 (0.37) SYKITGB3ITGAVITGA2BPOLB
SCHEMBL6474654 0.83 ITGB3 (0.43) ITGB3ITGAVITGA2BSIRT2SIRT1
SCHEMBL6481139 0.82 SYK (0.38) SYKITGB3ITGAVITGA2BPOLB
SCHEMBL6485142 0.79 ITGB3 (0.44) ITGB3ITGAVITGA2B
SCHEMBL6474022 0.75 ITGB3 (0.43) ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854140-B1 Vitronectin receptor antagonists, their production and their use SANOFI AVENTIS DEUTSCHLAND (DE) 2013-11-06 EP disclosed
EP-0854140-B1 Vitronectin receptor antagonists, their production and their use SANOFI AVENTIS DEUTSCHLAND (DE) 2013-11-06 EP disclosed
US-6867208-B2 Vitronectin receptor antagonists, their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 2005-03-15 US disclosed
US-20030027807-A1 Vitronectin receptor antagonists, their preparation and their use GENENTECH, INC. AND HOECHST AKTIENGESELLSCHAFT 2003-02-06 US disclosed
US-6387895-B1 BONE DISORDERS; CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6207663-B1 AS INHIBITORS OF BONE RESORPTION, TUMOR GROWTH, TUMOR METASTASIS, OR INFLAMMATION, OR FOR THE TREATMENT OR PROPHYLAXIS OF CARDIOVASCULAR DISORDERS, NEPHROPATHIES OR RETINOPATHIES HOECHST ATKIENGESELLSCHAFT (DE) 2001-03-27 US disclosed
US-6011045-A Vitronectin receptor antagonists, their preparation and their use HOECHST AKTIENGESELLSCHAFT 2000-01-04 US disclosed
EP-0854140-A2 Vitronectin receptor antagonists, their production and their use HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-22 EP 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-20030027807-A1 Vitronectin receptor antagonists, their preparation and their use ADGRF1, ADGRE5, BSG SYK 2952/4885ITGB3 173/4885ITGAV 145/4885

“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.