SCHEMBL792106

SCHEMBL792106

COCc1sc(C)nc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RARA P10276 1/20 0.47
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
GAA P10253 4/20 0.46
SSTR5 P35346 1/20 0.45
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2A1 P68400 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL791551 0.85 PTGDR2 (0.46) PTGDR2MEN1KMT2ALMNAMAPT
SCHEMBL791811 0.80 PTGS2 (0.49) PTGDR2MEN1KMT2ALMNAMAPT
SCHEMBL791528 0.80 PTGDR2 (0.61) PTGDR2MEN1KMT2ALMNAMAPT
SCHEMBL791548 0.79 PTGS2 (0.56) PTGDR2MEN1KMT2ALMNAMAPT
SCHEMBL13239090 0.77 RARA (0.68) PTGDR2MEN1KMT2ALMNAMAPT
SCHEMBL13494131 0.76 RARA (0.54) PTGDR2MEN1KMT2AMAPTKDM4E
SCHEMBL28715166 0.75 PPARD (0.47) PTGDR2SMN1; SMN2
SCHEMBL8291391 0.72 MEN1 (0.76) PTGDR2MEN1KMT2ALMNAMAPT
SCHEMBL729337 0.72 MEN1 (0.43) PTGDR2MEN1KMT2AALDH1A1RARB
SCHEMBL5544242 0.69 PTGDR2 (0.76) PTGDR2MEN1KMT2ALMNAMAPT

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 PTGDR2 4522/4885MEN1 4753/4885KMT2A 1865/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI PTGDR2 4635/4885MEN1 4807/4885KMT2A 2259/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI PTGDR2 4635/4885MEN1 4807/4885KMT2A 2259/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PTGDR2 4522/4885MEN1 4753/4885KMT2A 1865/4885

“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.