SCHEMBL848073

SCHEMBL848073

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
ACHE P22303 1/20 0.47
HPGDS O60760 1/20 0.45
HDAC1 Q13547 7/20 0.45
HDAC2 Q92769 6/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
IRAK4 Q9NWZ3 1/20 0.42
GAA P10253 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR7 Q9NYK1 1/20 0.42
PPARA Q07869 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIM1 P11309 1/20 0.41

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
SCHEMBL7847592 0.89 MAOA (0.45) MAOAACHEHPGDSHDAC1HDAC2
SCHEMBL848069 0.81 MEN1 (0.47) MAOAACHEHPGDSHDAC1HDAC2
SCHEMBL846739 0.81 LTB4R (0.43) HDAC1HDAC2GAAALDH1A1KDM4E
SCHEMBL7836019 0.80 TLR7 (0.53) MAOAACHEHDAC1HDAC8HDAC6
SCHEMBL846744 0.76 HPGDS (0.59) MAOAACHEHPGDSHDAC1HDAC8
SCHEMBL12279458 0.74 MAOA (0.65) MAOAACHEHPGDSHDAC1HDAC8
SCHEMBL14481910 0.74 MAOA (0.61) MAOAACHEHDAC1HDAC8HDAC6
SCHEMBL5342686 0.74 SMN1; SMN2 (0.60) IRAK4GAAALDH1A1KDM4ELMNA
SCHEMBL1785766 0.73 CYP2C9 (0.53) ACHEIRAK4GAAALDH1A1TLR7
SCHEMBL29910977 0.72 MAOA (0.61) MAOAACHEHDAC1HDAC8HDAC6

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 7 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
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 MAOA 2561/4885ACHE 1958/4885HPGDS 633/4885

“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.