SCHEMBL7847592

SCHEMBL7847592

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
ACHE P22303 1/20 0.45
HDAC1 Q13547 10/20 0.43
HDAC2 Q92769 9/20 0.43
HDAC8 Q9BY41 5/20 0.43
HDAC6 Q9UBN7 5/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
TLR7 Q9NYK1 3/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGDS O60760 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
GAA P10253 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL848073 0.89 MAOA (0.47) MAOAACHEHDAC1HDAC2HDAC8
SCHEMBL861993 0.82 LTB4R (0.41) HDAC1HDAC2IRAK4MAPTGAA
SCHEMBL848069 0.79 MEN1 (0.47) MAOAACHEHDAC1HDAC2HDAC8
SCHEMBL7836019 0.77 TLR7 (0.53) MAOAACHEHDAC1HDAC8HDAC6
SCHEMBL846744 0.74 HPGDS (0.59) MAOAACHEHDAC1HDAC8HDAC6
SCHEMBL5342686 0.74 SMN1; SMN2 (0.60) IRAK4KDM4ELMNAMAPTTDP1
SCHEMBL1785766 0.73 CYP2C9 (0.53) ACHEIRAK4TLR7KDM4ELMNA
SCHEMBL12279458 0.72 MAOA (0.65) MAOAACHEHDAC1HDAC8HDAC6
SCHEMBL14481910 0.71 MAOA (0.61) MAOAACHEHDAC1HDAC8HDAC6
SCHEMBL29910977 0.70 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 5 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
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 1958/4885HDAC1 1450/4885

“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.