Sugi Predict

Sugi Predict / Compounds / SCHEMBL771439

SCHEMBL771439

SCHEMBL771439

CCOC(=O)c1ccc2c(C3CCCCC3)c3n(c2n1)CCC(=O)c1cc(O)ccc1-3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OGFRL1 Q5TC84 1/20 0.34
▸ NR1H4 Q96RI1 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
SCHEMBL772156 0.86 PPARG (0.43) ALDH1A1LMNAKDM4EPOLBNPSR1
SCHEMBL14572879 0.85 ALDH1A1 (0.37) GAAALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL772139 0.80 LMNA (0.41) GAAALDH1A1ALOX15MAPK1LMNA
SCHEMBL772855 0.78 MAOB (0.42) ALDH1A1NPSR1SMN1; SMN2HPGDNPC1
SCHEMBL772631 0.76 PARP1 (0.38) ALDH1A1NPSR1SMN1; SMN2OPRM1OPRD1
SCHEMBL14572880 0.74 MAOB (0.43) ALDH1A1LMNAKDM4EPOLBNPSR1
SCHEMBL12597543 0.73 GABRA2 (0.45) GAAALDH1A1LMNAKDM4ENPSR1
SCHEMBL771061 0.73 CCNB2 (0.38) ALDH1A1NPSR1SMN1; SMN2HPGDRAB9A
SCHEMBL12597539 0.72 CYP1A2 (0.42) ALDH1A1LMNANPSR1SMN1; SMN2KMT2A
SCHEMBL771631 0.71 TMEM97 (0.39) GAAALDH1A1ALOX15MAPK1HSD17B10

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 6 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-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 — — US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 — — EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 — — EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 — — US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 — — EP 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 (2 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 GAA 374/4885ALDH1A1 750/4885ALOX15 3471/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 GAA 374/4885ALDH1A1 750/4885ALOX15 3471/4885

“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.