SCHEMBL6832018

SCHEMBL6832018

CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CNC(=O)c2ccc(CCC(=O)NC3=NCCCN3)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.55
ITGAV P06756 20/20 0.55
ITGA2B P08514 19/20 0.55
ITGB1 P05556 1/20 0.43
ITGB5 P18084 1/20 0.43

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
SCHEMBL6829192 0.90 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6829399 0.85 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL6829142 0.85 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL6832369 0.84 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL6831996 0.84 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL6829144 0.83 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL6829400 0.83 ITGB3 (0.63) ITGB3ITGAVITGA2B
SCHEMBL6832361 0.82 CA12 (0.47) ITGB3ITGAVITGA2B
SCHEMBL6831993 0.82 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL6829365 0.81 ITGB3 (0.63) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747148-B2 FOR THERPY AND PROPHYLAXIS OF OSTEOPOROSIS, HYPERCALCEMIA, OR OSTEOPENIA, INFLAMMATION, CARDIOVASCULAR DISORDERS, RESTENOSIS, ARTERIOSCLEROSIS, NEPHROPATHIES OR RETINOPATHIES HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2004-06-08 US disclosed
US-20020065271-A1 Novel sulfonamide derivatives as inhibitors of bone resorption and as inhibitors of cell adhesion PEYMAN ANUSCHIRWAN (DE) 2002-05-30 US disclosed
US-6313119-B1 VITRONECTIN RECEPTOR ANTAGONISTS ADVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-06 US disclosed
EP-1049677-A1 NOVEL SULFONAMIDE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2000-11-08 EP disclosed
WO-1999037621-A1 NOVEL SULFONAMIDE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-29 WO 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-20020065271-A1 Novel sulfonamide derivatives as inhibitors of bone resorption and as inhibitors of cell adhesion SOST, SELPLG, BST2 ITGB3 84/4885ITGAV 159/4885ITGA2B 39/4885

“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.