SCHEMBL4810125

SCHEMBL4810125

CCOCCOCc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)NOC)cc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
MMP13 P45452 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARD Q03181 1/20 0.38
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
MAOB P27338 1/20 0.36
KLKB1 P03952 2/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL4805963 0.95 MMP13 (0.41) THRBMMP13MEN1KMT2APPARD
SCHEMBL4805646 0.91 THRB (0.41) THRBMMP13MEN1KMT2APPARD
SCHEMBL4804800 0.89 THRB (0.42) THRBMMP13PPARDPDE4APDE4B
SCHEMBL4805779 0.86 THRB (0.41) THRBMMP13PPARDPDE4APDE4B
SCHEMBL4800004 0.86 MEN1 (0.40) THRBMMP13MEN1KMT2APPARD
SCHEMBL4806883 0.85 MMP13 (0.42) THRBMMP13PPARDPDE4APDE4B
SCHEMBL2948096 0.85 PDE10A (0.40) MEN1KMT2AKLKB1
SCHEMBL4806397 0.83 PPARD (0.38) THRBMMP13MEN1KMT2APPARD
SCHEMBL4806657 0.79 MEN1 (0.43) THRBMMP13MEN1KMT2APPARD
SCHEMBL4163667 0.79 MEN1 (0.42) THRBMMP13MEN1KMT2APDE4A

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 claimed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US claimed
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
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US 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 THRB 3656/4885MMP13 2169/4885MEN1 4787/4885

“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.