SCHEMBL7217733

SCHEMBL7217733

O=C(O)CC(NC(=O)C[N+]1(CCCNc2nc3ccccc3[nH]2)C(=O)CNC1=O)NC(=O)OCc1coc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.40
ITGAV P06756 18/20 0.40
ITGA2B P08514 1/20 0.40
ITGB5 P18084 1/20 0.40
CASP1 P29466 1/20 0.34
ITGA5 P08648 1/20 0.33
ITGB6 P18564 1/20 0.33
ITGB8 P26012 1/20 0.33

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
SCHEMBL7211465 0.90 ITGB3 (0.42) ITGB3ITGAVITGA2BITGB5CASP1
SCHEMBL7211648 0.87 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5
SCHEMBL7217610 0.86 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5
SCHEMBL7211540 0.86 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5ITGA5
SCHEMBL7217515 0.84 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5
SCHEMBL7211451 0.84 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB5ITGA5
SCHEMBL7212704 0.81 ITGB3 (0.42) ITGB3ITGAVITGA2BITGB5
SCHEMBL7217767 0.81 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB5
SCHEMBL7211463 0.76 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB5ITGA5
SCHEMBL7216436 0.76 ITGB3 (0.39) ITGB3ITGAVITGA2BITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620820-B2 Imidazole dione or one, thione derivatives as antitumor and antiinflammatory agents, also treats cardiovascular disease, nephropathies and retinopathies HOECHST AKTIENGESELLSCHAFT (DE) 2003-09-16 US disclosed
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors HOECHST AKTIENGESELLSCHAFT 2002-08-29 US disclosed
US-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors WEHNER VOLKMAR (DE) 2001-09-13 US disclosed
US-6218415-B1 THERAPY OF BONE REABSORPTION BY OSTEOCLASTS, TUMOR GROWTH AND TUMOR METASTASIS, INFLAMMATION, CARDIOVASCULAR DISEASE, NEPHROPATHIES AND RETINOPATHIES HOECHST AKTIENGESELLSCHAFT (DE) 2001-04-17 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 (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-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST ITGB3 500/4885ITGAV 478/4885ITGA2B 534/4885
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST ITGB3 500/4885ITGAV 478/4885ITGA2B 534/4885

“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.