SCHEMBL848069

SCHEMBL848069

COC(=O)c1csc(-c2cccc(OCCCCCOC3CCCCO3)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4C Q9H3R0 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
PIM1 P11309 2/20 0.39
HDAC1 Q13547 5/20 0.38
HDAC2 Q92769 5/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HPGDS O60760 1/20 0.38
PPARA Q07869 2/20 0.37
PPARD Q03181 1/20 0.37
GAA P10253 1/20 0.37
S1PR1 P21453 1/20 0.37
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CPT1B Q92523 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
SCHEMBL846498 0.85 MEN1 (0.49) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL848073 0.81 MAOA (0.47) MAOAACHEPIM1HDAC1HDAC2
SCHEMBL7847592 0.79 MAOA (0.45) MAOAACHEHDAC1HDAC2HDAC8
SCHEMBL6163621 0.76 PDE7A (0.46) NPC1RAB9APPARAGAACPT2
SCHEMBL2499084 0.74 KMT2A (0.53) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL848815 0.73 MEN1 (0.48) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL12768508 0.73 MEN1 (0.76) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL1531787 0.73 MEN1 (0.76) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL7335775 0.72 MEN1 (0.71) MEN1KMT2ANPC1RAB9A
SCHEMBL20128976 0.71 MEN1 (0.56) MEN1KMT2AKDM4CNPC1RAB9A

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 MEN1 4791/4885KMT2A 4266/4885KDM4C 3297/4885

“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.