SCHEMBL2525703

SCHEMBL2525703

C=CCOc1ccc(C[C@@H](NC(C)=O)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.62
ITGA2B P08514 4/20 0.62
PPARG P37231 12/20 0.54
LMNA P02545 1/20 0.50
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL2186966 1.00 ITGB3 (0.62) ITGB3ITGA2BPPARGLMNAMME
SCHEMBL12214839 1.00 ITGB3 (0.62) ITGB3ITGA2BPPARGLMNAMME
SCHEMBL2519903 0.88 ITGB3 (0.50) ITGB3ITGA2BPPARG
SCHEMBL2525916 0.88 PPARG (0.51) ITGB3ITGA2BPPARGLMNA
SCHEMBL18782427 0.88 PPARG (0.51) ITGB3ITGA2BPPARGLMNA
SCHEMBL15233717 0.88 PPARG (0.51) ITGB3ITGA2BPPARGLMNA
SCHEMBL22834202 0.88 ITGB3 (0.50) ITGB3ITGA2BPPARGMMEACE
SCHEMBL22834203 0.88 ITGB3 (0.50) ITGB3ITGA2BPPARGMMEACE
SCHEMBL2521344 0.86 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL8260495 0.86 ITGB3 (0.47) ITGB3ITGA2B

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-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 US disclosed
US-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 US disclosed
EP-1836159-B1 Antibiotic binaphthyl derivatives UNIV WOLLONGONG (AU) 2013-04-10 EP disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 US disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
EP-2199300-A2 Peptidic compounds The University Of Wollongong (AU) 2010-06-23 EP disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 US disclosed
WO-2006074501-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2006-07-20 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 (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-20080300287-A1 Peptidic Compounds VIP, NGLY1, FURIN ITGB3 2966/4885ITGA2B 4105/4885PPARG 3977/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN ITGB3 2456/4885ITGA2B 3961/4885PPARG 3849/4885

“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.