SCHEMBL4802909

SCHEMBL4802909

COCc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)O)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.43
PPARD Q03181 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.41
POLB P06746 1/20 0.41
SERPINE1 P05121 1/20 0.41
P4HTM Q9NXG6 1/20 0.40
TP53 P04637 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39

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
SCHEMBL4806883 0.91 MMP13 (0.42) MMP13PPARDMAPTTHRBPOLB
SCHEMBL4806657 0.91 MEN1 (0.43) MMP13PPARDMAPTTHRBPOLB
SCHEMBL4798568 0.89 THRB (0.39) MMP13PPARDMAPTTHRBPOLB
SCHEMBL4804800 0.87 THRB (0.42) MMP13PPARDMAPTTHRBPOLB
SCHEMBL4806510 0.85 POLB (0.40) MMP13PPARDMAPTTHRBPOLB
SCHEMBL4800004 0.82 MEN1 (0.40) MMP13PPARDMAPTTHRBPDE4A
SCHEMBL4805023 0.82 PDE1A (0.42) MMP13PPARDMAPTTHRBSERPINE1
SCHEMBL4805963 0.81 MMP13 (0.41) MMP13PPARDMAPTTHRBPDE4A
SCHEMBL4799336 0.81 MAPT (0.42) MMP13MAPTTHRBPOLBTP53
SCHEMBL4806397 0.81 PPARD (0.38) MMP13PPARDMAPTTHRBPOLB

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.