SCHEMBL847238

SCHEMBL847238

COC(=O)c1cccc(-c2cccc(OCCCCCCNC(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 8/20 0.60
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48
EGFR P00533 2/20 0.42
ITK Q08881 2/20 0.42
CNR2 P34972 1/20 0.41
MGLL Q99685 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
BRD4 O60885 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
SCHEMBL7848484 0.86 HDAC1 (0.45) SUCNR1CNR2
SCHEMBL846739 0.82 LTB4R (0.43) CNR2
SCHEMBL7845227 0.81 MTNR1A (0.44) CNR2MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL847470 0.81 MTNR1A (0.43) CNR2MTNR1AMTNR1B
SCHEMBL861993 0.80 LTB4R (0.41) CNR2
SCHEMBL17966554 0.77 SUCNR1 (0.46) SUCNR1
SCHEMBL6435296 0.77 CA12 (0.49) SUCNR1CA12CA1CA2CA9
SCHEMBL846487 0.77 CTSA (0.40) SUCNR1CNR2
SCHEMBL846498 0.77 MEN1 (0.49) CNR2
SCHEMBL24418337 0.76 CYP3A4 (0.49) SUCNR1CA12CA1CA2CA9

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
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 SUCNR1 4529/4885CA12 3402/4885CA1 3192/4885

“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.