SCHEMBL3255177

SCHEMBL3255177

CCOC(=O)COCCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.52
PPARG P37231 3/20 0.52
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
POLB P06746 1/20 0.44
CNR1 P21554 1/20 0.44
DAO P14920 1/20 0.44
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK14 Q16539 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
ELANE P08246 1/20 0.40

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
SCHEMBL3939774 0.85 PPARA (0.51) PPARAPPARGCHRM2CHRM1CHRM3
SCHEMBL15818398 0.82 PPARA (0.55) PPARAPPARGCHRM2CHRM1CHRM3
SCHEMBL3248128 0.82 ALOX5 (0.50) PPARAPPARGPOLB
SCHEMBL1869446 0.82 POLB (0.50) PPARAPPARGCHRM2CHRM1CHRM3
SCHEMBL3257843 0.81 PPARA (0.48) PPARAPPARGCHRM1L3MBTL1
SCHEMBL27643005 0.79 CHRM2 (0.53) PPARAPPARGCHRM2CHRM1CHRM3
SCHEMBL6485205 0.79 CNR1 (0.55) PPARAPPARGCHRM2CHRM1CHRM3
SCHEMBL3259593 0.77 ABCB1 (0.55) PPARAPPARGL3MBTL1TDP1
SCHEMBL6989302 0.77 CNR1 (0.58) PPARAPPARGCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL3252345 0.76 CHRM2 (0.44) CHRM2CHRM1CHRM3CNR1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029601-B1 PYRIDOPYRIMIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 EP disclosed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 US disclosed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 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-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 PPARA 105/4885PPARG 444/4885CHRM2 18/4885

“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.