SCHEMBL4806883

SCHEMBL4806883

COCCOCc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)O)cc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.42
PPARD Q03181 2/20 0.42
MAPT P10636 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
THRB P10828 1/20 0.38
SERPINE1 P05121 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
P4HTM Q9NXG6 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
SCHEMBL4804800 0.92 THRB (0.42) MMP13PPARDMAPTPDE4APDE4B
SCHEMBL4800004 0.91 MEN1 (0.40) MMP13PPARDMAPTPDE4APDE4B
SCHEMBL4802909 0.91 MMP13 (0.43) MMP13PPARDMAPTPDE4APDE4B
SCHEMBL4805963 0.91 MMP13 (0.41) MMP13PPARDMAPTPDE4APDE4B
SCHEMBL4806397 0.90 PPARD (0.38) MMP13PPARDMAPTPDE4APDE4B
SCHEMBL4805917 0.89 PTGER1 (0.40) PPARG
SCHEMBL4810125 0.85 THRB (0.40) MMP13PPARDMAPTPDE4APDE4B
SCHEMBL4805646 0.85 THRB (0.41) MMP13PPARDMAPTPDE4APDE4B
SCHEMBL4804966 0.82 POLB (0.39) MMP13PPARDMAPTPDE4APDE4B
SCHEMBL4805779 0.82 THRB (0.41) MMP13PPARDMAPTPDE4APDE4B

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 6 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
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
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 MMP13 2169/4885PPARD 3557/4885MAPT 600/4885

“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.