SCHEMBL14730732

SCHEMBL14730732

CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NCC(=O)O)cc23)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.43
ALDH1A1 P00352 6/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.42
HPGD P15428 5/20 0.40
PTPRC P08575 2/20 0.39
CTSL P07711 1/20 0.39
PTPN13 Q12923 1/20 0.39
HSD17B10 Q99714 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
IMPDH2 P12268 1/20 0.38
MAPKAPK2 P49137 2/20 0.38
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36

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
SCHEMBL14730729 0.89 KDM4E (0.48) KDM4EALDH1A1GAAMAPK1HPGD
SCHEMBL14730800 0.86 PARP1 (0.49) KDM4EALDH1A1HPGDHSD17B10MAPKAPK2
SCHEMBL14730689 0.84 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10MAPKAPK2
SCHEMBL14730798 0.82 RAB9A (0.44) MAPKAPK2
SCHEMBL16248398 0.81 KIF11 (0.44) KDM4EALDH1A1MAPK1HSD17B10MAPKAPK2
SCHEMBL14730846 0.81 KDM4E (0.51) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL14730855 0.80 MAPKAPK2 (0.49) KDM4EGAAHSD17B10MAPKAPK2
SCHEMBL14730794 0.80 ROCK2 (0.44)
SCHEMBL14730797 0.80 SCN9A (0.43) SMN1; SMN2
SCHEMBL14730767 0.79 ITK (0.44) KDM4EALDH1A1GAAMAPK1PDE4B

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 KDM4E 4061/4885ALDH1A1 1605/4885GAA 3419/4885

“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.