SCHEMBL3366686

SCHEMBL3366686

O=C(CCc1ccc(C(=O)NC[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1)NC1=NCCCN1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.75
ITGAV P06756 20/20 0.75
ITGA2B P08514 7/20 0.75
ITGB5 P18084 2/20 0.47
ITGB1 P05556 1/20 0.47
ITGA5 P08648 1/20 0.47

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
SCHEMBL4838464 0.91 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB5
SCHEMBL7406088 0.88 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL6016166 0.86 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL3368836 0.85 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL7138885 0.85 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL7216195 0.84 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB5
SCHEMBL7217041 0.84 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB5
SCHEMBL6832958 0.82 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL7919745 0.82 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL6832483 0.81 ITGB3 (0.72) 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO claimed
US-6492356-B1 Acylguanidine derivatives as inhibitors of bone resorption and as vitronectin receptor antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-12-10 US claimed
EP-1042301-B1 NOVEL ACYLGUANIDINE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA GMBH (DE) 2002-11-20 EP claimed
EP-1042301-A1 NOVEL ACYLGUANIDINE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS VITRONECTIN RECEPTOR ANTAGONISTS Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP claimed
EP-0933367-A1 Novel acylguanidine derivates as inhibitors of bone resorption and as vitronectin receptor antagonists Hoechst Marion Roussel Deutschland GmbH (DE) 1999-08-04 EP claimed
WO-1999032457-A1 NOVEL ACYLGUANIDINE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-01 WO claimed
EP-1326847-B1 (2S)-2-(ADAMANTAN-1-YLMETHOXYCARBONYLAMINO)-3-(4-(2-(1,4,5,6-TETRAHYDROPYRIMIDIN-2-YLCARBAMOYL)ETHYL)BENZOYLAMINO)PROPIONIC ACID ISOPROPYL ESTER, ITS PREPARATION AND ITS USE AVENTIS PHARMA GMBH (DE) 2010-05-05 EP disclosed
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO disclosed
US-7348333-B2 Cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. (FR) 2008-03-25 US disclosed
US-20080021055-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. 2008-01-24 US disclosed
EP-0820991-B1 Cycloalkyl derivatives as bone resorption inhibitors and vitronectin receptor antagonists HOECHST AG (DE) 2007-08-29 EP disclosed
US-6867213-B2 (2S)-2-(adamantan-1-ylmethoxycarbonylamino)-3-(4-(2-(1,4,5,6-tetrhydropyrimidin-2-ylcarbamoyl)ethyl)benzoylamino)propionic acid isopropyl ester, its preparation and its use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-03-15 US disclosed
US-20040039006-A1 (2S)-2-(Adamantan-1-ylmethoxycarbonylamino)-3-(4-(2-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)ethyl)benzoylamino)propionic acid isopropyl ester, its preparation and its use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-26 US disclosed
US-6399620-B1 (2S)-2-(1-ADAMANTYL-METHYLOXYCARBONYLAMINO)-3-(4-(3-GUANIDINO -CARBONYL-PROPYLOXY)PHENYL)PROPIONIC ACID; ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS AVENTIS PHARMA S.A. (DE) 2002-06-04 US disclosed
WO-2002030910-A1 (2S)-2-(ADAMANTAN-1-YLMETHOXYCARBONYLAMINO)-3-(4-(2-(1,4,5,6-TETRAHYDROPYRIMIDIN-2-YLCARBAMOYL)ETHYL)BENZOYLAMINO)PROPIONIC ACID ISOPROPYL ESTER, ITS PREPARATION AND ITS USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-18 WO disclosed
EP-1197488-A1 (2S)-2-(Adamantan-1-ylmethoxycarbonylamino)-3-(4-(2-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)ethyl)benzoylamino)propionic acid isopropyl ester, its preparation and its use Aventis Pharma Deutschland GmbH (DE) 2002-04-17 EP disclosed
EP-1042301-A1 NOVEL ACYLGUANIDINE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS VITRONECTIN RECEPTOR ANTAGONISTS Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
EP-0933367-A1 Novel acylguanidine derivates as inhibitors of bone resorption and as vitronectin receptor antagonists Hoechst Marion Roussel Deutschland GmbH (DE) 1999-08-04 EP disclosed
WO-1999032457-A1 NOVEL ACYLGUANIDINE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-01 WO disclosed
EP-0820991-A2 Cycloalkyl derivatives as bone resorption inhibitors and vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-28 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 (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-20040039006-A1 (2S)-2-(Adamantan-1-ylmethoxycarbonylamino)-3-(4-(2-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)ethyl)benzoylamino)propionic acid isopropyl ester, its preparation and its use CALCRL, CALCR, CHRNA1 ITGB3 153/4885ITGAV 223/4885ITGA2B 101/4885
US-20080021055-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists ADGRF1, ADGRE5, CALCR ITGB3 536/4885ITGAV 737/4885ITGA2B 379/4885

“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.