SCHEMBL3763496

SCHEMBL3763496

CC(C)(C)OC(=O)N[C@H](COc1ccc(N)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
PPARA Q07869 9/20 0.52
PPARG P37231 8/20 0.50
PTPN1 P18031 3/20 0.46
ACE P12821 1/20 0.46
PPARD Q03181 2/20 0.45
HDAC8 Q9BY41 1/20 0.44
IDO1 P14902 1/20 0.43
MMP13 P45452 1/20 0.42
BCL2 P10415 1/20 0.42
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 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
SCHEMBL17491900 0.88 PPARA (0.62) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL4818304 0.88 PPARA (0.62) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL8239145 0.87 ITGB3 (0.54) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL17492215 0.87 PPARA (0.57) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL345468 0.87 ITGB3 (0.54) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL17491991 0.87 ITGB3 (0.54) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL4816376 0.87 ITGB3 (0.54) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL17492218 0.87 PPARA (0.57) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL16384487 0.85 PPARA (0.58) ITGB3ITGA2BPPARAPPARGPTPN1
SCHEMBL17373574 0.85 PPARA (0.53) ITGB3ITGA2BPPARAPPARGPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842806-B2 Pyridopyrimidone derivatives, preparation thereof, therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-30 US disclosed
US-20090048277-A1 PYRIDOPYRIMIDONE DERIVATIVES, PREPARATION THEREOF, THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-02-19 US disclosed
EP-1979352-A2 PYRIDOPYRIMIDONE DERIVATIVES, PREPARATION THEREOF, THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-10-15 EP disclosed
WO-2007080324-A2 PYRIDOPYRIMIDONE DERIVATIVES, PREPARATION THEREOF, THERAPEUTIC USE THEREOF SANOFIS-AVENTIS (FR) 2007-07-19 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-20090048277-A1 PYRIDOPYRIMIDONE DERIVATIVES, PREPARATION THEREOF, THERAPEUTIC USE THEREOF DPYD, TYMP, PDXK ITGB3 2839/4885ITGA2B 3711/4885PPARA 357/4885

“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.