SCHEMBL3370106

SCHEMBL3370106

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.53
ITGB3 P05106 7/20 0.51
ITGAV P06756 7/20 0.51
ITGA2B P08514 1/20 0.51
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
TACR1 P25103 1/20 0.48
ITGB1 P05556 1/20 0.46
ITGA5 P08648 1/20 0.46
ITGB5 P18084 1/20 0.46
CTSK P43235 2/20 0.46
KYNU Q16719 1/20 0.46
CTSL P07711 3/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45

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
SCHEMBL5176163 0.89 SYK (0.49) CASP1PPARGPPARAMAPTRAB9A
SCHEMBL28968971 0.87 MAPT (0.58) ITGB3ITGAVITGA2BPPARGPPARA
SCHEMBL30306792 0.87 MAPT (0.58) ITGB3ITGAVITGA2BPPARGPPARA
SCHEMBL7407622 0.84 CASP1 (0.53) CASP1ITGB3ITGAVITGA2BPPARG
SCHEMBL14609244 0.84 PPARG (0.54) CASP1ITGB3ITGAVITGA2BPPARG
SCHEMBL8507891 0.83 ITGB3 (0.54) CASP1ITGB3ITGAVITGA2BPPARG
SCHEMBL7240669 0.82 ITGB3 (0.74) CASP1ITGB3ITGAVITGA2BPPARG
SCHEMBL7370216 0.79 CTSK (0.57) ITGB3ITGAVPPARGPPARATACR1
SCHEMBL7370220 0.79 CTSK (0.57) ITGB3ITGAVPPARGPPARATACR1
SCHEMBL220498 0.78 FOLH1 (0.56) CASP1PPARGPPARACTSKKYNU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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-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
EP-1326847-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) 2003-07-16 EP disclosed
US-20030050314-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. 2003-03-13 US disclosed
US-6492356-B1 Acylguanidine derivatives as inhibitors of bone resorption and as vitronectin receptor antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-12-10 US disclosed
EP-1042301-B1 NOVEL ACYLGUANIDINE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA GMBH (DE) 2002-11-20 EP 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
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
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
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
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CASP1 1021/4885ITGB3 153/4885ITGAV 223/4885
US-20080021055-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists ADGRF1, ADGRE5, CALCR CASP1 1630/4885ITGB3 536/4885ITGAV 737/4885
US-20020065271-A1 Novel sulfonamide derivatives as inhibitors of bone resorption and as inhibitors of cell adhesion SOST, SELPLG, BST2 CASP1 1312/4885ITGB3 84/4885ITGAV 159/4885
US-20030050314-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists ADGRF1, CALCRL, ADGRE5 CASP1 1149/4885ITGB3 545/4885ITGAV 684/4885

“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.