SCHEMBL15746226

SCHEMBL15746226

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
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
SCN10A Q9Y5Y9 3/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.31
PLA2G1B P04054 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL12437144 0.87 TGFBR1 (0.35) NPC1MAPTTGFBR1MAPK14RIPK2
SCHEMBL15746215 0.87 MEN1 (0.34) MAPTTGFBR1MAPK14RIPK2ACVR1B
SCHEMBL10119926 0.84 KLK7 (0.33) KDM4ETGFBR1MAPK14RIPK2ACVR1B
SCHEMBL19521662 0.80 SCN10A (0.35) NPC1KDM4EMAPTSCN10AKCNH2
SCHEMBL2705896 0.80 SCN10A (0.36) NPC1MAPTSCN10AKCNH2ALDH1A1
SCHEMBL15746227 0.76 MAPT (0.34) MAPTSCN10AKCNH2TNKS2
SCHEMBL10141065 0.74 TGFBR1 (0.37) KDM4ETGFBR1MAPK14RIPK2ACVR1B
SCHEMBL19521584 0.74 MEN1 (0.34) MAPTSCN10AKCNH2ALDH1A1CYP19A1
SCHEMBL2705883 0.73 CYP17A1 (0.33) MAPTSCN10AKCNH2TNKS2
SCHEMBL2705885 0.73 SCN10A (0.33) SCN10AKCNH2TNKS2

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 10 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-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-9416139-B2 Spiro ring compound as hepatitis C virus (HCV) inhibitor and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-16 US disclosed
US-9309231-B2 Bridged ring compounds as hepatitis C virus (HCV) inhibitors and pharmaceutical applications thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-9303061-B2 Spiro compounds as Hepatitis C virus inhibitors Sunshine Luke Pharma Co., Ltd. (CN) 2016-04-05 US disclosed
US-20150307509-A1 FUSED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-29 US disclosed
US-20150299215-A1 SPIRO RING COMPOUND AS HEPATITIS C VIRUS (HCV) INHIBITOR AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-22 US disclosed
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-08-20 US disclosed
US-20150079028-A1 Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof SUNSHINE LAKE PHARMA CO., LTD (CN) 2015-03-19 US disclosed
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-05-29 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 (5 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-20150299215-A1 SPIRO RING COMPOUND AS HEPATITIS C VIRUS (HCV) INHIBITOR AND USES THEREOF HAVCR2, SLC10A1, SORD NPC1 67/4885KDM4E 4681/4885MAPT 18/4885
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS HAVCR2, SLC10A1, SORD NPC1 47/4885KDM4E 4762/4885MAPT 24/4885
US-20150307509-A1 FUSED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CUL4A, GTF3C4, HAVCR2 NPC1 697/4885KDM4E 1387/4885MAPT 2927/4885
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS HAVCR2, SORD, SLC10A1 NPC1 73/4885KDM4E 4827/4885MAPT 162/4885
US-20150079028-A1 Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof SLC10A1, HAVCR2, UGT1A3 NPC1 83/4885KDM4E 4160/4885MAPT 16/4885

“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.