SCHEMBL5255688

SCHEMBL5255688

COc1ncc([C@H](CC(=O)O)CC(=O)CCCCc2ccc3c(n2)NCCCC3)cn1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.77
ITGB3 P05106 17/20 0.77
ITGB6 P18564 7/20 0.58
ITGB8 P26012 6/20 0.58
ITGB5 P18084 4/20 0.57
ITGA2B P08514 2/20 0.54

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
SCHEMBL5256976 1.00 ITGAV (0.77) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5254158 1.00 ITGAV (0.77) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7433549 0.97 ITGAV (0.81) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7436110 0.97 ITGAV (0.81) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7437194 0.97 ITGAV (0.81) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL14380623 0.94 ITGAV (0.73) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5255745 0.93 ITGAV (0.66) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5255108 0.93 ITGAV (0.66) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5255148 0.93 ITGAV (0.66) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5254905 0.91 ITGAV (0.76) ITGAVITGB3ITGB6ITGB8ITGB5

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-1187592-B1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-08-01 EP claimed
EP-1187592-A4 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-11-06 EP claimed
US-6410526-B1 BONE DISORDERS; RESTENOSIS; VISION DISORDERS; ANTICHOLESTEROL AGENTS; ANTICANCER, ANTITUMOR AGENTS MERCK & CO., INC. 2002-06-25 US claimed
EP-1187592-A2 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2002-03-20 EP claimed
WO-2000072801-A2 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-12-07 WO claimed
US-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2019-10-10 US disclosed
US-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2019-10-10 US disclosed
WO-2016154369-A1 COMPOSITION AND METHODS FOR TREATING CHRONIC KIDNEY DISEASE MERCK SHARP & DOHME CORP. (US) 2016-09-29 WO disclosed
US-7288655-B2 α v integrin receptor antagonists MERCK & CO., INC. (US) 2007-10-30 US disclosed
US-7288655-B2 α v integrin receptor antagonists MERCK & CO., INC. (US) 2007-10-30 US disclosed
US-7288655-B2 α v integrin receptor antagonists MERCK & CO., INC. (US) 2007-10-30 US disclosed
EP-1187592-B1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-08-01 EP disclosed
US-20060149069-A1 Process for synthesising useful intermediates for the preparation of avss3 receptor antagonists MERCK SHARP & DOHME LIMITED (GB) 2006-07-06 US disclosed
US-20050101593-A1 Phosphoric acid salt of an integrin receptor antagonist MEISSNER ROBERT S (US) 2005-05-12 US disclosed
EP-1326615-A1 PHOSPHORIC ACID SALT OF AN INTEGRIN RECEPTOR ANTAGONIST Merck & Co., Inc. (US) 2003-07-16 EP disclosed
EP-1187592-A4 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-11-06 EP disclosed
US-6410526-B1 BONE DISORDERS; RESTENOSIS; VISION DISORDERS; ANTICHOLESTEROL AGENTS; ANTICANCER, ANTITUMOR AGENTS MERCK & CO., INC. 2002-06-25 US disclosed
WO-2002028395-A1 PHOSPHORIC ACID SALT OF AN INTEGRIN RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 2002-04-11 WO disclosed
EP-1187592-A2 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2002-03-20 EP disclosed
WO-2000072801-A2 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-12-07 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 (3 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-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease ITGAM, ITGB1, ITGB2 ITGAV 5/4885ITGB3 9/4885ITGB6 24/4885
US-20060149069-A1 Process for synthesising useful intermediates for the preparation of avss3 receptor antagonists AVPR1A, AVPR1B, ADRB3 ITGAV 484/4885ITGB3 94/4885ITGB6 1033/4885
US-20050101593-A1 Phosphoric acid salt of an integrin receptor antagonist ITGA5, ITGAL, ITGA2 ITGAV 12/4885ITGB3 5/4885ITGB6 16/4885

“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.