SCHEMBL10119926

SCHEMBL10119926

CC(C)c1ccc2c(c1)OCCc1nc(C(C)(C)C)[nH]c1-2

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.33
CTRC Q99895 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
TGFBR1 P36897 2/20 0.32
MAPK14 Q16539 2/20 0.32
OGA O60502 2/20 0.32
RIPK2 O43353 1/20 0.32
ACVR1B P36896 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL10119928 0.88 TGFBR1 (0.33) KLK7CTRCTGFBR1MAPK14RIPK2
SCHEMBL15746226 0.84 NPC1 (0.36) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL12437144 0.84 TGFBR1 (0.35) PIK3CAPIK3CBPIK3CGTGFBR1MAPK14
SCHEMBL10118799 0.84 KLK7 (0.35) KLK7CTRCPIK3CDPIK3CAPIK3CB
SCHEMBL10141067 0.81 PIK3CA (0.35) KLK7CTRCPIK3CDPIK3CAPIK3CB
SCHEMBL10119929 0.80 KDM4E (0.33) KDM4E
SCHEMBL10119925 0.78 KDM4E (0.36) KDM4E
SCHEMBL10119933 0.78 PSMB5 (0.34) KDM4E
SCHEMBL2707371 0.75 KDM4E (0.34) KDM4E
SCHEMBL12438185 0.74 PIK3CA (0.37) PIK3CDPIK3CAPIK3CBPIK3CG

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802949-B2 Fused ring compounds as hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-10-31 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-8933110-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-20140308243-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-10-16 US disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 US 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 (4 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-20140308243-A1 HEPATITIS C VIRUS INHIBITORS ZC3HAV1, ZC3HAV1L, HAVCR2 KLK7 3241/4885CTRC 460/4885PIK3CD 2210/4885
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KLK7 2649/4885CTRC 506/4885PIK3CD 739/4885
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 KLK7 3867/4885CTRC 526/4885PIK3CD 2144/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 KLK7 3788/4885CTRC 537/4885PIK3CD 2187/4885

“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.