SCHEMBL5649745

SCHEMBL5649745

COc1ncc(C(CC(=O)O)CC(=O)O)cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.47
ITGAV P06756 2/20 0.47
FFAR1 O14842 5/20 0.41
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
CTSA P10619 3/20 0.36
MAP4K4 O95819 1/20 0.35

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
SCHEMBL5649344 0.92 ITGB3 (0.43) ITGB3ITGAVFFAR1GAAMAPT
SCHEMBL14380634 0.92 FFAR1 (0.51) ITGB3ITGAVFFAR1GAAMAPT
SCHEMBL14380635 0.92 FFAR1 (0.51) ITGB3ITGAVFFAR1GAAMAPT
SCHEMBL14380639 0.87 ITGB3 (0.40) ITGB3ITGAVFFAR1L3MBTL1MAP4K4
SCHEMBL20141587 0.83 KMT2A (0.40) ITGB3ITGAVFFAR1GAAMAPT
SCHEMBL20141591 0.83 KMT2A (0.40) ITGB3ITGAVFFAR1GAAMAPT
SCHEMBL5648774 0.81 ITGB3 (0.39) ITGB3ITGAVFFAR1GAAMAPT
SCHEMBL6221566 0.78 ITGB3 (0.50) ITGB3ITGAVFFAR1GAAMAPT
SCHEMBL23722442 0.78 KCNK3 (0.37) ITGB3ITGAVFFAR1POLBCTSA
SCHEMBL19987502 0.75 TUBB4A (0.38) ITGB3ITGAVFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1603906-A2 PROCESS FOR SYNTHESISING USEFUL INTERMEDIATES FOR THE PREPARATION OF ALPHA V BETA 3 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2005-12-14 EP disclosed
WO-2004078109-A2 PROCESS FOR SYNTHESISING USEFUL INTERMEDIATES FOR THE PREPARATION OF ανβ3 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-09-16 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-20060149069-A1 Process for synthesising useful intermediates for the preparation of avss3 receptor antagonists AVPR1A, AVPR1B, ADRB3 ITGB3 94/4885ITGAV 484/4885FFAR1 245/4885

“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.