SCHEMBL803811

SCHEMBL803811

COCc1cc(S(=O)(=O)NC(C)C)c(Cl)cc1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.40
ALDH1A1 P00352 2/20 0.40
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
NR3C1 P04150 4/20 0.36
PGR P06401 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NR3C2 P08235 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TRPV4 Q9HBA0 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CCR9 P51686 1/20 0.34

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
SCHEMBL16000114 0.70 MCL1 (0.57) GSTO1ALDH1A1NR3C1KDM4ERAB9A
SCHEMBL16000135 0.70 TRPV4 (0.51) GSTO1ALDH1A1NR3C1NR3C2CNR1
SCHEMBL10283229 0.70 PARG (0.45) ALDH1A1PTGDR2KDM4ERAB9ALMNA
SCHEMBL10283467 0.68 NPSR1 (0.46) NPSR1CNR1RAB9AMAPT
SCHEMBL792263 0.68 NPSR1 (0.46) NPSR1KDM4ERAB9AMAPT
SCHEMBL792102 0.68 FFAR1 (0.44) NPSR1RAB9AMAPT
SCHEMBL792055 0.68 PTGS2 (0.53) PTGDR2
SCHEMBL791519 0.68 KIF11 (0.55) NR3C1
SCHEMBL792057 0.67 PTGS2 (0.51)
SCHEMBL792302 0.66 FPR2 (0.44) NPSR1CNR1RAB9ALMNAMAPT

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 9 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-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-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 GSTO1 997/4885ALDH1A1 750/4885OPRM1 3434/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI GSTO1 666/4885ALDH1A1 596/4885OPRM1 3672/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI GSTO1 666/4885ALDH1A1 596/4885OPRM1 3672/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 GSTO1 997/4885ALDH1A1 750/4885OPRM1 3434/4885

“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.