SCHEMBL846744

SCHEMBL846744

COC(=O)c1csc(-c2cccc(O)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.59
MAOA P21397 1/20 0.58
ACHE P22303 1/20 0.58
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
TLR7 Q9NYK1 5/20 0.48
ALDH1A1 P00352 2/20 0.48
ABL1 P00519 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL12279458 0.84 MAOA (0.65) HPGDSMAOAACHETLR7ALDH1A1
SCHEMBL29910977 0.82 MAOA (0.61) MAOAACHETLR7ALDH1A1HDAC1
SCHEMBL1786612 0.81 HSD17B1 (0.60) HPGDSACHEHSD17B1HSD17B2TLR7
SCHEMBL14481910 0.81 MAOA (0.61) MAOAACHETLR7ALDH1A1HDAC1
SCHEMBL14656020 0.78 ACHE (0.64) MAOAACHEALDH1A1HDAC1HDAC8
SCHEMBL2551476 0.78 HPGD (0.68) MAOAACHETLR7ALDH1A1HDAC1
SCHEMBL7836019 0.78 TLR7 (0.53) MAOAACHETLR7ALDH1A1HDAC1
SCHEMBL12571448 0.78 HDAC6 (0.69) MAOAACHETLR7HDAC6IRAK4
SCHEMBL848073 0.76 MAOA (0.47) HPGDSMAOAACHETLR7ALDH1A1
SCHEMBL12278085 0.75 HDAC1 (0.68) MAOAACHETLR7ALDH1A1HDAC1

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-8703700-B2 Bimacrocylic HCV NS3 protease inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
EP-2432318-A1 BIMACROCYCLIC HCV NS3 PROTEASE INHIBITORS Sequoia Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
WO-2010135748-A1 BIMACROCYCLIC HCV NS3 PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC. (US) 2010-11-25 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-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors HAVCR2, CTRC, CTSC HPGDS 633/4885MAOA 2561/4885ACHE 1958/4885

“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.