SCHEMBL791915

SCHEMBL791915

COc1cccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.63
TGFBR1 P36897 2/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.52
GPR119 Q8TDV5 7/20 0.52
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
STS P08842 1/20 0.50
CHEK2 O96017 1/20 0.49
EPHX2 P34913 1/20 0.49
CSF1R P07333 1/20 0.49
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48

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
SCHEMBL26668458 0.95 SLC2A1 (0.59) SLC2A1TGFBR1GPR119KDM4EPKM
SCHEMBL13097087 0.89 SLC2A1 (0.57) SLC2A1TGFBR1GPR119KDM4EPKM
SCHEMBL22406145 0.88 SLC2A1 (0.54) SLC2A1TGFBR1GPR119KDM4EPKM
SCHEMBL13349776 0.88 GPR119 (0.57) SLC2A1GPR119KDM4EPKMCHEK2
SCHEMBL30876499 0.88 SLC2A1 (0.54) SLC2A1TGFBR1GPR119KDM4EPKM
SCHEMBL13160667 0.87 SLC2A1 (0.55) SLC2A1TGFBR1GPR119KDM4EPKM
SCHEMBL29576543 0.87 SLC2A1 (0.55) SLC2A1GPR119KDM4EPKMCHEK2
SCHEMBL22265848 0.87 SLC2A1 (0.55) SLC2A1GPR119KDM4EPKMCHEK2
SCHEMBL864389 0.87 SLC2A1 (0.55) SLC2A1GPR119KDM4EPKMCHEK2
SCHEMBL7398625 0.87 SLC2A1 (0.53) SLC2A1TGFBR1GPR119KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 SLC2A1 4374/4885TGFBR1 2992/4885MEN1 4753/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI SLC2A1 4417/4885TGFBR1 3518/4885MEN1 4807/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI SLC2A1 4417/4885TGFBR1 3518/4885MEN1 4807/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SLC2A1 4374/4885TGFBR1 2992/4885MEN1 4753/4885

“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.