SCHEMBL4800776

SCHEMBL4800776

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.42
ALKBH1 Q13686 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.38
F2RL3 Q96RI0 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGDR Q13258 1/20 0.37

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
SCHEMBL4806797 0.91 PPARG (0.43) PPARGF2RL3
SCHEMBL2946969 0.89 PPARG (0.44) PPARG
SCHEMBL4804980 0.89 PPARG (0.43) PPARG
SCHEMBL4808924 0.83 PTGER1 (0.42) ALKBH1PTGER1PTGDR2F2RL3CYP1A2
SCHEMBL6220698 0.80 PPARG (0.39) PPARGALKBH1PTGDR2
SCHEMBL2952988 0.80 PPARG (0.45) PPARGF2RL3
SCHEMBL2950141 0.76 PPARG (0.45) PPARG
SCHEMBL2945336 0.72 PPARG (0.52) PPARGALKBH1PTGER1
SCHEMBL4805917 0.71 PTGER1 (0.40) PPARGALKBH1PTGER1PTGDR2CYP2C19
SCHEMBL2950674 0.71 PPARG (0.51) PPARG

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 4290/4885ALKBH1 1212/4885PTGER1 3835/4885

“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.