SCHEMBL1900221

SCHEMBL1900221

CC(C)(C)OC(=O)N[C@@H](CC(C(=O)O)C(O)CCOCc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.63
PPARG P37231 4/20 0.58
CTSS P25774 4/20 0.52
ACE P12821 1/20 0.48
CTSK P43235 4/20 0.46
PPARD Q03181 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
KLK5 Q9Y337 3/20 0.44
KLK7 P49862 2/20 0.44
REN P00797 1/20 0.44
RAB9A P51151 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
PTPN11 Q06124 1/20 0.42

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
SCHEMBL15025940 0.88 PPARA (0.56) PPARAPPARGCTSSACECTSK
SCHEMBL955526 0.86 PPARA (0.74) PPARAPPARGCTSSACECTSK
SCHEMBL1312604 0.86 PPARA (0.74) PPARAPPARGCTSSACECTSK
SCHEMBL955527 0.86 PPARA (0.74) PPARAPPARGCTSSACECTSK
SCHEMBL15006578 0.84 PPARA (0.57) PPARAPPARGCTSSACECTSK
SCHEMBL12521758 0.83 PPARA (0.65) PPARAPPARGCTSSACECTSK
SCHEMBL7405992 0.82 PPARA (0.71) PPARAPPARGCTSSACECTSK
SCHEMBL27897229 0.82 PPARA (0.71) PPARAPPARGCTSSACECTSK
SCHEMBL7442052 0.82 PPARA (0.71) PPARAPPARGCTSSACECTSK
SCHEMBL20899650 0.82 PPARA (0.82) PPARAPPARGCTSSACECTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130149243-A1 METHOD FOR PRODUCTION OF F-18 LABELED GLUTAMIC ACID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
EP-2501663-A2 METHOD FOR PRODUCTION OF F-18 LABELED GLUTAMIC ACID DERIVATIVES Piramal Imaging SA (CH) 2012-09-26 EP disclosed
WO-2011060887-A2 METHOD FOR PRODUCTION OF F-18 LABELED GLUTAMIC ACID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 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-20130149243-A1 METHOD FOR PRODUCTION OF F-18 LABELED GLUTAMIC ACID DERIVATIVES GLUL, SLC18A2, SLC1A2 PPARA 2627/4885PPARG 1530/4885CTSS 3632/4885

“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.