SCHEMBL2525916

SCHEMBL2525916

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.51
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
ACACB O00763 6/20 0.44
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL15233717 1.00 PPARG (0.51) PPARGITGB3ITGA2BGAARAB9A
SCHEMBL18782427 1.00 PPARG (0.51) PPARGITGB3ITGA2BGAARAB9A
SCHEMBL8260495 0.90 ITGB3 (0.47) ITGB3ITGA2BGAARAB9AACACB
SCHEMBL2521344 0.90 ITGB3 (0.47) ITGB3ITGA2BGAARAB9AACACB
SCHEMBL2521739 0.90 RAB9A (0.49) PPARGGAARAB9AMEN1ALDH1A1
SCHEMBL13337315 0.90 GAA (0.52) PPARGGAARAB9AMEN1ALDH1A1
SCHEMBL6893824 0.89 ALDH1A1 (0.52) PPARGGAARAB9AMEN1ALDH1A1
SCHEMBL6893819 0.89 ALDH1A1 (0.52) PPARGGAARAB9AMEN1ALDH1A1
SCHEMBL2525703 0.88 ITGB3 (0.62) PPARGITGB3ITGA2BLMNA
SCHEMBL12214839 0.88 ITGB3 (0.62) PPARGITGB3ITGA2BLMNA

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 10 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
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-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
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 PPARG 3977/4885ITGB3 2966/4885ITGA2B 4105/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN PPARG 3849/4885ITGB3 2456/4885ITGA2B 3961/4885

“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.