SCHEMBL5887928

SCHEMBL5887928

NCc1ccc(C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.58
MME P08473 3/20 0.55
YARS1 P54577 2/20 0.55
ACE P12821 3/20 0.54
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
FOLH1 Q04609 1/20 0.52
NAALAD2 Q9Y3Q0 1/20 0.52
OPRD1 P41143 3/20 0.51
OPRM1 P35372 2/20 0.51
OPRK1 P41145 1/20 0.51

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
SCHEMBL5887814 1.00 SLC7A5 (0.58) SLC7A5MMEYARS1ACECPA1
SCHEMBL5887796 1.00 SLC7A5 (0.58) SLC7A5MMEYARS1ACECPA1
SCHEMBL30439955 0.94 SLC7A5 (0.65) SLC7A5MMEYARS1ACECPA1
SCHEMBL27653020 0.94 SLC7A5 (0.65) SLC7A5MMEYARS1ACECPA1
SCHEMBL1574161 0.94 SLC7A5 (0.65) SLC7A5MMEYARS1ACECPA1
SCHEMBL1574158 0.94 SLC7A5 (0.65) SLC7A5MMEYARS1ACECPA1
SCHEMBL31025673 0.94 SLC7A5 (0.65) SLC7A5MMEYARS1ACECPA1
SCHEMBL30839475 0.92 SLC7A5 (0.61) SLC7A5MMEYARS1ACECPA1
SCHEMBL678159 0.92 SLC7A5 (0.61) SLC7A5MMEYARS1ACECPA1
SCHEMBL678158 0.92 SLC7A5 (0.61) SLC7A5MMEYARS1ACECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995238-B2 Cyclopeptide derivatives BIOMET DEUTCHLAND GMBH (DE) 2006-02-07 US disclosed
EP-1037906-B1 CYCLOPEPTIDE DERIVATIVES WITH INTEGRIN INHIBITOR PROPERTIES BIOMET DEUTSCHLAND GMBH (DE) 2005-02-16 EP disclosed
EP-0856007-B1 CYCLOPEPTIDE DERIVATIVES MERCK PATENT GMBH (DE) 2004-04-21 EP disclosed
US-6610826-B1 Useful for treatment of disorders caused by implants, defects, inflammations and of osteolytic disorders such as osteoporosis, thrombosis, cardiac infarction and arteriosclerosis MERCK PATENT DEPARTMENT (DE) 2003-08-26 US disclosed
CN-1118475-C Cyclopeptide derivatives MERCK PATENT GMBH (DE) 2003-08-20 CN disclosed
US-6566491-B2 Used as integrin inhibitors, in particular for the prevention and treatment of circulatory diseases, thrombosis, heart infarct, coronary heart diseases, arteriosclerosis, angiogenic diseases and in tumor therapy. MERCK PATENT GESELLSCHAFT (DE) 2003-05-20 US disclosed
US-20020198142-A1 Cyclopeptide derivatives MERCK PATENT GMBH (DE) 2002-12-26 US disclosed
US-20020032306-A1 CYCLOPEPTIDE DERIVATIVES BIOMET DEUTSCHLAND GMBH (DE) 2002-03-14 US disclosed
CN-1282337-A Cyclopeptide derivatives with integrin inhibitor properties MERCK PATENT GMBH (DE) 2001-01-31 CN disclosed
EP-1037906-A1 CYCLOPEPTIDE DERIVATIVES WITH INTEGRIN INHIBITOR PROPERTIES MERCK PATENT GmbH (DE) 2000-09-27 EP disclosed
WO-1999031126-A1 CYCLOPEPTIDE DERIVATIVES WITH INTEGRIN INHIBITOR PROPERTIES MERCK PATENT GMBH (DE) 1999-06-24 WO disclosed
CN-1202907-A Cyclopeptide derivatives MERCK PATENT GMBH (DE) 1998-12-23 CN disclosed
EP-0771818-A2 Biotin derivatives MERCK PATENT GmbH (DE) 1997-05-07 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-20020198142-A1 Cyclopeptide derivatives COL2A1, SRRM2, ARGLU1 SLC7A5 2637/4885MME 1379/4885YARS1 2387/4885
US-20020032306-A1 CYCLOPEPTIDE DERIVATIVES CORO1C, CYCS, CORO1A SLC7A5 2879/4885MME 3084/4885YARS1 2365/4885

“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.