SCHEMBL4806797

SCHEMBL4806797

COCc1c(C(=O)OC)ncc2c1ccn2Cc1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.43
F2RL3 Q96RI0 2/20 0.39
GRIN2B Q13224 1/20 0.37
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL4800776 0.91 PPARG (0.42) PPARGF2RL3
SCHEMBL2946969 0.90 PPARG (0.44) PPARGGRIN2BPDE10A
SCHEMBL4804980 0.90 PPARG (0.43) PPARGGRIN2BPDE10A
SCHEMBL2952988 0.87 PPARG (0.45) PPARGF2RL3MAPK14KDM4EL3MBTL1
SCHEMBL6220698 0.80 PPARG (0.39) PPARGGRIN2B
SCHEMBL2950141 0.79 PPARG (0.45) PPARG
SCHEMBL14533491 0.76 L3MBTL1 (0.43) KDM4EL3MBTL1
SCHEMBL2950674 0.76 PPARG (0.51) PPARG
SCHEMBL4808924 0.74 PTGER1 (0.42) F2RL3MAPK14
SCHEMBL4965274 0.72 HSP90AA1 (0.42) KDM4EL3MBTL1

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-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP PPARG 4290/4885F2RL3 2884/4885GRIN2B 3929/4885

“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.