SCHEMBL14730795

SCHEMBL14730795

CC1(NC(=O)c2ccc3[nH]c4c(c3c2)C(C)(C)CC(C)(C)C4=O)CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 13/20 0.34
CNR2 P34972 1/20 0.34
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL14730765 0.94 MAPKAPK2 (0.35) MAPKAPK2KDM4EALDH1A1HPGD
SCHEMBL14730725 0.79 RAB9A (0.47) MAPKAPK2RAB9A
SCHEMBL16248395 0.79 RAB9A (0.47) MAPKAPK2RAB9A
SCHEMBL16248387 0.79 RAB9A (0.47) MAPKAPK2RAB9A
SCHEMBL14730764 0.78 RAB9A (0.49) MAPKAPK2RAB9AALDH1A1
SCHEMBL14730732 0.78 KDM4E (0.43) MAPKAPK2KDM4EALDH1A1HPGD
SCHEMBL14730766 0.77 RAB9A (0.47) RAB9A
SCHEMBL14730800 0.77 PARP1 (0.49) MAPKAPK2KDM4EALDH1A1HPGD
SCHEMBL14730798 0.77 RAB9A (0.44) MAPKAPK2RAB9A
SCHEMBL16248398 0.77 KIF11 (0.44) MAPKAPK2RAB9AKDM4EALDH1A1

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-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
WO-2013026163-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 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-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS HCCS, C1R, HAVCR2 MAPKAPK2 4574/4885CNR2 357/4885RAB9A 1404/4885

“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.