SCHEMBL2590797

SCHEMBL2590797

CCc1cccc2c1Nc1c(CC)cccc1S2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.46
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
MAPT P10636 6/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
NOX1 Q9Y5S8 6/20 0.37
GAA P10253 5/20 0.37
BCHE P06276 3/20 0.37
ALOX15 P16050 3/20 0.37
SNCA P37840 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ALOX12 P18054 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
Iodide SCHEMBL2594068 0.96 PDK2 (0.43) PDK2GABRA1GABRB2MAPTMEN1
SCHEMBL2592493 0.93 PDK2 (0.41) PDK2GABRA1GABRB2MAPTMEN1
Iodide SCHEMBL9932003 0.89 PDK2 (0.39) PDK2GABRA1GABRB2MAPTMEN1
SCHEMBL2582870 0.87 NOX1 (0.53) PDK2MAPTMEN1KMT2ATDP1
SCHEMBL9932940 0.87 PDK2 (0.37) PDK2GABRA1GABRB2MAPTMEN1
Iodide SCHEMBL2593575 0.84 PDK2 (0.36) PDK2GABRA1GABRB2MAPTMEN1
SCHEMBL15925823 0.81 MAPT (0.46) PDK2MAPTMEN1KMT2ATDP1
SCHEMBL12273283 0.78 PRMT6 (0.35) PDK2MAPTMEN1KMT2ATDP1
SCHEMBL15926398 0.76 NOX1 (0.36) PDK2MAPTMEN1KMT2ATDP1
SCHEMBL25765754 0.76

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585073-B1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC (US) 2016-04-27 EP disclosed
US-8785434-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-07-22 US disclosed
US-8759336-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-06-24 US disclosed
US-8759336-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-06-24 US disclosed
US-8759336-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-06-24 US disclosed
EP-2585073-A1 ANTIVIRAL COMPOUNDS Prostetta Antiviral Inc. (US) 2013-05-01 EP disclosed
CN-102958525-A Antiviral compounds PROSTETTA ANTIVIRAL INC 2013-03-06 CN disclosed
US-20120238543-A1 Antiviral Compounds Prosetta Antiviral, Inc. (US) 2012-09-20 US disclosed
WO-2012125983-A1 ANTIVIRAL TREATMENTS PROSETTA ANTIVIRAL INC. (US) 2012-09-20 WO disclosed
US-20120238543-A1 Antiviral Compounds Prosetta Antiviral, Inc. (US) 2012-09-20 US disclosed
US-20120238543-A1 Antiviral Compounds Prosetta Antiviral, Inc. (US) 2012-09-20 US disclosed
US-20120157435-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-06-21 US disclosed
WO-2011137447-A1 ANTIVIRAL COMPOUNDS PROSTETTA ANTIVIRAL INC. (US) 2011-11-03 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 (2 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-20120238543-A1 Antiviral Compounds MAVS, EIF2AK2, IRF3 PDK2 2296/4885GABRA1 4470/4885GABRB2 4772/4885
US-20120157435-A1 Antiviral Compounds MAVS, ZC3HAV1, EIF2AK2 PDK2 1288/4885GABRA1 2007/4885GABRB2 2793/4885

“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.