SCHEMBL6474409

SCHEMBL6474409

CCOC(=O)CCN1CCn2nc(C(=O)NC[C@H](NC(=O)OCc3ccccc3)C(=O)O)cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.46
ITGA2B P08514 9/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
LMNA P02545 1/20 0.41
ITGAV P06756 4/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL6480916 0.95 ITGB3 (0.47) ITGB3ITGA2BSMN1; SMN2BCHEACHE
SCHEMBL7306244 0.92 ITGB3 (0.42) ITGB3ITGA2BSMN1; SMN2BCHEACHE
SCHEMBL7301488 0.88 ITGB3 (0.43) ITGB3ITGA2BSMN1; SMN2BCHEACHE
SCHEMBL6474456 0.86 ITGB3 (0.42) ITGB3ITGA2BSMN1; SMN2ITGAV
SCHEMBL6476016 0.83 ITGB3 (0.42) ITGB3ITGA2BSMN1; SMN2ITGAV
SCHEMBL7678810 0.82 SMN1; SMN2 (0.44) ITGB3ITGA2BSMN1; SMN2LMNAPKM
SCHEMBL6475204 0.82 PKM (0.49) ITGB3ITGA2BSMN1; SMN2LMNAPKM
SCHEMBL7301850 0.80 ITGB3 (0.39) ITGB3ITGA2BSMN1; SMN2ITGAVPKM
SCHEMBL6481898 0.77 PKM (0.48) ITGB3ITGA2BSMN1; SMN2LMNAPKM
SCHEMBL6474857 0.72 ITGB3 (0.43) ITGB3ITGA2BBCHEACHECACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ITGB3 173/4885ITGA2B 100/4885SMN1; SMN2 4535/4885

“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.