SCHEMBL791758

SCHEMBL791758

COCc1cc(NS(C)(=O)=O)ccc1N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MTOR P42345 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
MET P08581 1/20 0.43
PIK3CA P42336 1/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL792314 0.81 SLC6A9 (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL792380 0.81 ALDH1A1 (0.54) MAPK1GAAHPGDMAPTKDM4E
SCHEMBL13949991 0.80 AKT1 (0.41) MAPK1GAAHPGDMAPTKDM4E
SCHEMBL10252453 0.79 KDM4E (0.53) MAPK1GAAHPGDMAPTKDM4E
SCHEMBL791759 0.77 RORC (0.38) MAPK1GAAHPGDMAPTKDM4E
SCHEMBL792326 0.77 L3MBTL1 (0.61) MAPK1GAAHPGDMAPTKDM4E
SCHEMBL14508917 0.76 MAPK1 (0.51) MAPK1GAAHPGDEPHX2NR1H4
SCHEMBL792315 0.76 MAPT (0.53) MAPK1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL14320645 0.75 MAPT (0.56) GAAHPGDMAPTKDM4EMTOR
SCHEMBL792374 0.71 PKM (0.45) MAPK1GAAHPGDMAPTKDM4E

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-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-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 MAPK1 1154/4885GAA 374/4885HPGD 2752/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI MAPK1 1446/4885GAA 451/4885HPGD 2210/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI MAPK1 1446/4885GAA 451/4885HPGD 2210/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MAPK1 1154/4885GAA 374/4885HPGD 2752/4885

“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.