SCHEMBL6016256

SCHEMBL6016256

CC(C)(C)OC(=O)[C@H](CNC(=O)c1ccc(CCC(=O)NC(=N)N)s1)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.62
ITGAV P06756 13/20 0.62
ITGA2B P08514 10/20 0.62
SYK P43405 1/20 0.43
CASP1 P29466 1/20 0.41
CTSS P25774 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6016218 0.90 ITGB3 (0.75) ITGB3ITGAVITGA2BCASP1
SCHEMBL6016434 0.88 ITGB3 (0.61) ITGB3ITGAVITGA2BSYKCASP1
SCHEMBL6016219 0.86 ITGB3 (0.60) ITGB3ITGAVITGA2BSYKCASP1
SCHEMBL7229962 0.83 ITGB3 (0.51) ITGB3ITGAVITGA2BSYKCTSS
SCHEMBL7456386 0.82 SYK (0.53) ITGB3ITGAVITGA2BSYKCTSS
SCHEMBL7456394 0.82 SYK (0.53) ITGB3ITGAVITGA2BSYKCTSS
SCHEMBL6016209 0.81 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL7229952 0.80 ITGB3 (0.49) ITGB3ITGAVITGA2BSYKCTSS
SCHEMBL7455995 0.80 SYK (0.51) ITGB3ITGAVITGA2BSYKCTSS
SCHEMBL7962795 0.80 SYK (0.51) ITGB3ITGAVITGA2BSYKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086098-B1 THIENYL SUBSTITUTED ACYLGUANIDINES AS INHIBITORS OF BONE RESORPTION AND VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA GMBH (DE) 2006-04-05 EP disclosed
US-6660728-B2 Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-09 US disclosed
US-20030153557-A1 Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA DEUTSCHLAND GMBH AND GENENTECH, INC. 2003-08-14 US disclosed
US-6566366-B1 For therapy of tumor growth, osteoporosis, inflammation and cardiovascular disorders AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-20 US disclosed
EP-1086098-A1 THIENYL SUBSTITUTED ACYLGUANIDINES AS INHIBITORS OF BONE RESORPTION AND VITRONECTIN RECEPTOR ANTAGONISTS Aventis Pharma Deutschland GmbH (DE) 2001-03-28 EP disclosed
EP-0960882-A1 Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists Hoechst Marion Roussel Deutschland GmbH (DE) 1999-12-01 EP disclosed
WO-1999059992-A1 THIENYL SUBSTITUTED ACYLGUANIDINES AS INHIBITORS OF BONE RESORPTION AND VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-11-25 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-20030153557-A1 Thienyl substituted acylguanidines as inhibitors of bone resorption and vitronectin receptor antagonists ASGR1, PTMS, B3GNT2 ITGB3 250/4885ITGAV 376/4885ITGA2B 162/4885

“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.