SCHEMBL4805646

SCHEMBL4805646

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARD Q03181 1/20 0.39
P2RX3 P56373 1/20 0.39
MAPT P10636 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
MMP13 P45452 1/20 0.37
RAB9A P51151 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
POLB P06746 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
SCHEMBL4800004 0.94 MEN1 (0.40) THRBMEN1KMT2APPARDP2RX3
SCHEMBL4810125 0.91 THRB (0.40) THRBMEN1KMT2APPARDMAPT
SCHEMBL4804800 0.91 THRB (0.42) THRBPPARDP2RX3MAPTPDE4A
SCHEMBL4806657 0.88 MEN1 (0.43) THRBMEN1KMT2APPARDP2RX3
SCHEMBL4805779 0.88 THRB (0.41) THRBPPARDMAPTPDE4APDE4B
SCHEMBL4799336 0.85 MAPT (0.42) THRBMEN1KMT2AMAPTMMP13
SCHEMBL4805963 0.85 MMP13 (0.41) THRBMEN1KMT2APPARDMAPT
SCHEMBL4806883 0.85 MMP13 (0.42) THRBPPARDMAPTPDE4APDE4B
SCHEMBL4806278 0.84 MEN1 (0.40) MEN1KMT2AMAPTMMP13RAB9A
SCHEMBL4165398 0.83 HDAC1 (0.45) THRBMEN1KMT2AMAPTMMP13

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 THRB 3656/4885MEN1 4787/4885KMT2A 1367/4885

“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.