SCHEMBL6016141

SCHEMBL6016141

COC(=O)CCc1ccc(C(=O)NC[C@H](NC(=O)OCC23CC4CC(CC(C4)C2)C3)C(=O)OC(C)(C)C)s1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.56
ITGAV P06756 12/20 0.56
ITGA2B P08514 12/20 0.56
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.33
EPHX2 P34913 1/20 0.32
ACKR3 P25106 1/20 0.32
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL6016151 0.83 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL6016233 0.82 ITGB3 (0.57) ITGB3ITGAVITGA2BALDH1A1MEN1
SCHEMBL6016235 0.82 ITGB3 (0.57) ITGB3ITGAVITGA2BALDH1A1MEN1
SCHEMBL6016274 0.82 ITGB3 (0.57) ITGB3ITGAVITGA2BALDH1A1MEN1
SCHEMBL6016434 0.81 ITGB3 (0.61) ITGB3ITGAVITGA2BALDH1A1
SCHEMBL6016140 0.78 ITGB3 (0.39) ITGB3ITGAVITGA2BALDH1A1HPGD
SCHEMBL3892302 0.76 ALDH1A1 (0.51) ITGB3ITGAVITGA2BALDH1A1MEN1
SCHEMBL6016224 0.76 HPGD (0.44) ITGB3ITGAVITGA2BALDH1A1HPGD
SCHEMBL5567609 0.75 ITGB3 (0.42) ITGB3ITGAVITGA2BALDH1A1MEN1
Hydrochloric Acid SCHEMBL6016221 0.75 HPGD (0.43) ITGB3ITGAVITGA2BALDH1A1HPGD

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.