SCHEMBL846487

SCHEMBL846487

COC(=O)c1cccc(-c2cccc(OCCCCCCN=C=O)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.40
LTB4R Q15722 1/20 0.40
CNR2 P34972 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
CES1 P23141 3/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
FAAH O00519 1/20 0.39
DHODH Q02127 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
SUCNR1 Q9BXA5 2/20 0.38
NCEH1 Q6PIU2 1/20 0.38

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
SCHEMBL846739 0.85 LTB4R (0.43) CTSALTB4RCNR2CYP1A2GAA
SCHEMBL7845227 0.84 MTNR1A (0.44) CTSALTB4RCNR2CYP1A2GAA
Hydrochloric Acid SCHEMBL847470 0.83 MTNR1A (0.43) CTSALTB4RCNR2CYP1A2GAA
SCHEMBL861993 0.82 LTB4R (0.41) CTSALTB4RCNR2CYP1A2GAA
SCHEMBL7848484 0.79 HDAC1 (0.45) LTB4RCNR2CES1FAAHHDAC1
SCHEMBL847238 0.77 SUCNR1 (0.60) CNR2SUCNR1
SCHEMBL846498 0.75 MEN1 (0.49) CTSACNR2CES1FAAHHDAC1
SCHEMBL22940145 0.74 PLA2G2A (0.55) CYP1A2MAPTSUCNR1
SCHEMBL847234 0.73 SMPD1 (0.53) CNR2GAAMAPTFAAH
SCHEMBL25003937 0.72 PLA2G2A (0.58) CYP1A2MAPTCES1FAAHSUCNR1

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 CTSA 196/4885LTB4R 2013/4885CNR2 3951/4885

“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.