SCHEMBL6286612

SCHEMBL6286612

CCOC(=O)CCCOc1ccc(C[C@H](N)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.47
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
BRD4 O60885 1/20 0.43
PTPN1 P18031 1/20 0.42
ADORA2A P29274 1/20 0.41
PDK2 Q15119 1/20 0.41
MAPT P10636 1/20 0.41

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
Hydrochloric Acid SCHEMBL5174869 0.99 LTA4H (0.46) LTA4HITGB3ITGA2BCYSLTR2CYSLTR1
SCHEMBL16940459 0.88 ITGB3 (0.51) LTA4HITGB3ITGA2B
Acetic Acid SCHEMBL6866559 0.87 ITGB3 (0.47) LTA4HITGB3ITGA2B
SCHEMBL6871466 0.87 ITGB3 (0.51) LTA4HITGB3ITGA2B
SCHEMBL1541948 0.86 ITGB3 (0.59) LTA4HITGB3ITGA2BPTPN1
SCHEMBL4832539 0.85 ITGB3 (0.62) LTA4HITGB3ITGA2BCYSLTR2CYSLTR1
SCHEMBL14281122 0.83 LTA4H (0.52) LTA4HCYSLTR2CYSLTR1BRD4
SCHEMBL7358634 0.82 ACACB (0.50) LTA4HITGB3ITGA2BPTPN1
SCHEMBL7350603 0.81 LTA4H (0.50) LTA4HMAPT
SCHEMBL16355748 0.80 PTPN1 (0.48) LTA4HITGB3ITGA2BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838453-B2 Antagonist derivatives of the vitronectin receptor AVENTIS PHARMA S.A. (FR) 2005-01-04 US disclosed
US-20040225111-A1 ANTAGONIST DERIVATIVES OF THE VITRONECTIN RECEPTOR AVENTIS PHARMA S.A. (FR) 2004-11-11 US disclosed
EP-1155003-B1 NOVEL GUANIDINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA GMBH (DE) 2004-08-11 EP disclosed
US-6340679-B1 FOR INHIBITING BONE RESORPTION, OSTEOPOROSIS, TUMOR GROWTH OR TUMOR METASTASIS, INFLAMMATION, OR FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS, RESTENOSIS, ARTERIOSCLEROSIS, NEPHROPATHIES, RETINOPATHIES OR RHEUMATOID ARTHRITIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-22 US disclosed
EP-1155003-A1 NOVEL GUANIDINE DERIVATIVES AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2001-11-21 EP disclosed
CN-1064352-C Novel cyloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists HOECHST AG (DE) 2001-04-11 CN disclosed
WO-2000047564-A1 NOVEL GUANIDINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-08-17 WO disclosed
EP-1028114-A1 Novel guanidine derivatives as inhibitors of cell adhesion Aventis Pharma Deutschland GmbH (DE) 2000-08-16 EP disclosed
CN-1179418-A Novel cyloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists HOECHST AG (DE) 1998-04-22 CN 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-20040225111-A1 ANTAGONIST DERIVATIVES OF THE VITRONECTIN RECEPTOR ADGRF1, BDKRB1, ADGRE5 LTA4H 1119/4885ITGB3 220/4885ITGA2B 117/4885

“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.