SCHEMBL10119928

SCHEMBL10119928

CC(C)c1ccc2c(c1)OCc1nc(C(C)(C)C)[nH]c1-2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.33
MAPK14 Q16539 2/20 0.33
RIPK2 O43353 1/20 0.33
ACVR1B P36896 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.30
KLK7 P49862 1/20 0.30
CTRC Q99895 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
SCHEMBL10119926 0.88 KLK7 (0.33) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL12328338 0.83 LMNA (0.36) LMNAKLK7CTRC
SCHEMBL15746215 0.83 MEN1 (0.34) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL10118794 0.83 KDM4E (0.33) LMNAKLK7CTRC
SCHEMBL10141065 0.83 TGFBR1 (0.37) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL10119929 0.77 KDM4E (0.33) LMNA
SCHEMBL10119933 0.75 PSMB5 (0.34) LMNA
SCHEMBL10119925 0.75 KDM4E (0.36) LMNA
SCHEMBL10119927 0.74 NPSR1 (0.34)
SCHEMBL2707371 0.72 KDM4E (0.34)

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-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-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 TGFBR1 4059/4885MAPK14 4199/4885RIPK2 4482/4885
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 TGFBR1 3973/4885MAPK14 3467/4885RIPK2 3848/4885
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 TGFBR1 4227/4885MAPK14 4366/4885RIPK2 4390/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 TGFBR1 4201/4885MAPK14 4412/4885RIPK2 4310/4885

“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.