SCHEMBL3779164

SCHEMBL3779164

COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)O)cc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.45
POLB P06746 3/20 0.45
KMT2A Q03164 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TRPV1 Q8NER1 1/20 0.41
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TACR1 P25103 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
ECE1 P42892 3/20 0.38

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
SCHEMBL771839 0.95 TRPV1 (0.41) GAAPOLBKMT2ACTDSP1TRPV1
SCHEMBL771810 0.88 KCNH2 (0.42)
SCHEMBL2200713 0.86 CYP3A4 (0.44) GAAPOLBKMT2ACTDSP1TRPV1
SCHEMBL774073 0.86 NR1I2 (0.41)
SCHEMBL771840 0.86 TRPV1 (0.41) TRPV1KDM4EMAPT
SCHEMBL774226 0.84 KCNH2 (0.41)
SCHEMBL772400 0.84 KCNH2 (0.40)
SCHEMBL773883 0.83 KCNH2 (0.42)
SCHEMBL3783427 0.83 ROCK2 (0.42)
SCHEMBL3784315 0.83 KCNH2 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 374/4885POLB 77/4885KMT2A 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.