SCHEMBL5458748

SCHEMBL5458748

O=C(CCc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.65
ITGA2B P08514 2/20 0.65
ACE P12821 5/20 0.63
PIN1 Q13526 1/20 0.62
CTSG P08311 1/20 0.59
CMA1 P23946 1/20 0.59
NAALAD2 Q9Y3Q0 1/20 0.59
MME P08473 1/20 0.58
NPSR1 Q6W5P4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
CDC25B P30305 1/20 0.56
FAAH O00519 1/20 0.55

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
SCHEMBL4153101 1.00 ITGB3 (0.65) ITGB3ITGA2BACEPIN1CTSG
SCHEMBL4153095 1.00 ITGB3 (0.65) ITGB3ITGA2BACEPIN1CTSG
SCHEMBL4147924 0.93 ITGB3 (0.62) ITGB3ITGA2BACEPIN1NAALAD2
SCHEMBL4147413 0.93 ITGB3 (0.62) ITGB3ITGA2BACEPIN1NAALAD2
SCHEMBL4147417 0.93 ITGB3 (0.62) ITGB3ITGA2BACEPIN1NAALAD2
SCHEMBL4147927 0.93 ITGB3 (0.62) ITGB3ITGA2BACEPIN1NAALAD2
SCHEMBL9440322 0.91 ITGB3 (0.61) ITGB3ITGA2BACEPIN1CTSG
SCHEMBL9440326 0.91 ITGB3 (0.61) ITGB3ITGA2BACEPIN1CTSG
SCHEMBL10722448 0.90 CTSG (0.68) ITGB3ITGA2BACEPIN1CTSG
SCHEMBL21391851 0.88 ACE (0.55) ITGB3ITGA2BACEPIN1CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022265577-A2 CORONAVIRUS ENZYME MODULATORS, METHODS OF SYNTHESIS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-12-22 WO disclosed
WO-2022265577-A2 CORONAVIRUS ENZYME MODULATORS, METHODS OF SYNTHESIS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-12-22 WO disclosed
US-20070185060-A1 Boronic acid thrombin inhibitors TRIGEN LIMITED (GB) 2007-08-09 US disclosed
US-20070185060-A1 Boronic acid thrombin inhibitors TRIGEN LIMITED (GB) 2007-08-09 US disclosed
US-20070185060-A1 Boronic acid thrombin inhibitors TRIGEN LIMITED (GB) 2007-08-09 US disclosed
US-20060128613-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-06-15 US disclosed
US-20050282757-A1 Peptide boronic acid compounds useful in anticoagulation TRIGEN LIMITED 2005-12-22 US disclosed
US-20050282757-A1 Peptide boronic acid compounds useful in anticoagulation TRIGEN LIMITED 2005-12-22 US disclosed
US-20050282757-A1 Peptide boronic acid compounds useful in anticoagulation TRIGEN LIMITED 2005-12-22 US disclosed
WO-2005084687-A2 BORONIC ACID THROMBIN INHIBITORS TRIGEN LIMITED (GB) 2005-09-15 WO disclosed
WO-2005084687-A2 BORONIC ACID THROMBIN INHIBITORS TRIGEN LIMITED (GB) 2005-09-15 WO disclosed
CN-1571796-A Melanocortin receptor ligands PROCTER & GAMBLE (US) 2005-01-26 CN disclosed
EP-1409540-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2004-04-21 EP disclosed
WO-2002026774-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 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-20060128613-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R ITGB3 788/4885ITGA2B 2088/4885ACE 3224/4885
US-20050282757-A1 Peptide boronic acid compounds useful in anticoagulation SERPINC1, HABP2, F11 ITGB3 1478/4885ITGA2B 1324/4885ACE 1655/4885
US-20070185060-A1 Boronic acid thrombin inhibitors F2, ECE1, BCAT1 ITGB3 1337/4885ITGA2B 534/4885ACE 230/4885

“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.