SCHEMBL7600335

SCHEMBL7600335

CC1(C)OB(c2ccc3cc(-c4cnc(C5CCCC5)[nH]4)ccc3c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.44
LIPG Q9Y5X9 5/20 0.44
SCN10A Q9Y5Y9 1/20 0.38
HIF1A Q16665 1/20 0.38
PYGL P06737 2/20 0.37
DGAT1 O75907 1/20 0.36
HPGDS O60760 2/20 0.35
SNCA P37840 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
SSTR3 P32745 2/20 0.33
TTK P33981 1/20 0.33
SSTR5 P35346 1/20 0.33
KCNH2 Q12809 1/20 0.33
SSTR1 P30872 1/20 0.33

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
SCHEMBL7602060 0.90 LPL (0.40) LPLLIPGSCN10AHIF1APYGL
SCHEMBL7605241 0.90 LPL (0.42) LPLLIPGSCN10AHIF1ADGAT1
SCHEMBL17014415 0.89 LPL (0.41) LPLLIPGSCN10AHIF1ADGAT1
SCHEMBL15430159 0.86 LPL (0.35) LPLLIPGSCN10AHIF1AHPGDS
SCHEMBL6126990 0.85 LPL (0.41) LPLLIPGSCN10APYGLDGAT1
SCHEMBL6126994 0.85 LPL (0.41) LPLLIPGSCN10APYGLDGAT1
SCHEMBL469988 0.85 LPL (0.44) LPLLIPGSCN10ADGAT1HPGDS
SCHEMBL15274593 0.83 LPL (0.40) LPLLIPGPYGLIRAK4KCNH2
SCHEMBL16921672 0.83 LPL (0.40) LPLLIPGPYGLIRAK4KCNH2
SCHEMBL15397708 0.82 LPL (0.40) LPLLIPGPYGLDGAT1SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 US disclosed
US-20150203474-A1 SOLID FORMS COMPRISING INHIBITORS OF HCV NS5A, COMPOSITIONS THEREOF, AND USES THEREWITH PRESIDIO PHARMACEUTICALS, INC. 2015-07-23 US disclosed
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
US-20130310427-A1 INHIBITORS OF HCV NS5A PROTEIN PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 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 (8 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-20140018313-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 LPL 2383/4885LIPG 1280/4885SCN10A 4642/4885
US-20130310427-A1 INHIBITORS OF HCV NS5A PROTEIN HAVCR2, EIF2AK2, PPP2CA LPL 2165/4885LIPG 2618/4885SCN10A 2912/4885
US-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 LPL 437/4885LIPG 1416/4885SCN10A 3491/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 LPL 458/4885LIPG 1401/4885SCN10A 3547/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 LPL 458/4885LIPG 1401/4885SCN10A 3547/4885
US-20150353529-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 LPL 2383/4885LIPG 1280/4885SCN10A 4642/4885
US-20150203474-A1 SOLID FORMS COMPRISING INHIBITORS OF HCV NS5A, COMPOSITIONS THEREOF, AND USES THEREWITH ABL1, HAVCR2, MAVS LPL 1447/4885LIPG 1357/4885SCN10A 3726/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 LPL 458/4885LIPG 1401/4885SCN10A 3547/4885

“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.