SCHEMBL6474456

SCHEMBL6474456

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

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.42
ITGA2B P08514 14/20 0.42
ITGAV P06756 13/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL6476016 0.96 ITGB3 (0.42) ITGB3ITGA2BITGAVSMN1; SMN2
SCHEMBL7301850 0.92 ITGB3 (0.39) ITGB3ITGA2BITGAVSMN1; SMN2
SCHEMBL7304338 0.88 ITGB3 (0.40) ITGB3ITGA2BITGAVSMN1; SMN2
SCHEMBL6474409 0.86 ITGB3 (0.46) ITGB3ITGA2BITGAVSMN1; SMN2
SCHEMBL6483064 0.85 ITGB3 (0.43) ITGB3ITGA2BSMN1; SMN2
SCHEMBL6480916 0.83 ITGB3 (0.47) ITGB3ITGA2BITGAVSMN1; SMN2
SCHEMBL7306172 0.78 ITGB3 (0.40) ITGB3ITGA2BSMN1; SMN2
SCHEMBL7301488 0.76 ITGB3 (0.43) ITGB3ITGA2BSMN1; SMN2
SCHEMBL6474022 0.73 ITGB3 (0.43) ITGB3ITGA2BITGAV
SCHEMBL7422874 0.73 ITGB3 (0.47) ITGB3ITGA2BSMN1; SMN2

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 12 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 claimed
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
EP-0503301-B1 Peptide derivatives and application thereof FUJI PHOTO FILM CO LTD (JP) 1997-11-26 EP disclosed
US-5436221-A Oligopeptides as antitumor agents FUJI PHOTO FILM CO., LTD. (JP) 1995-07-25 US disclosed
EP-0619118-A1 Use of peptide derivatives FUJI PHOTO FILM CO., LTD. (JP) 1994-10-12 EP disclosed
EP-0503301-A2 Peptide derivatives and application thereof FUJI PHOTO FILM CO., LTD. (JP) 1992-09-16 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 ITGB3 173/4885ITGA2B 100/4885ITGAV 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.