Sugi Predict

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SCHEMBL804270

SCHEMBL804270

COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NC(C)(C)C(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.39
▸ NR1I2 O75469 5/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CYP3A4 P08684 3/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ SCN5A Q14524 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ PSMB5 P28074 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
SCHEMBL772772 0.91 KCNH2 (0.41) KCNH2NR1I2CTSLCTSSCYP3A4
SCHEMBL771810 0.91 KCNH2 (0.42) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL774488 0.90 KCNH2 (0.41) KCNH2NR1I2CTSLCTSSCYP3A4
SCHEMBL772487 0.90 LNPEP (0.43) KCNH2NR1I2CTSLCTSSCYP3A4
SCHEMBL771933 0.89 ROCK2 (0.41) KCNH2NR1I2CTSLCTSSCYP3A4
SCHEMBL773444 0.89 KCNH2 (0.40) KCNH2NR1I2CTSLCTSSCYP3A4
SCHEMBL773392 0.89 KCNH2 (0.40) KCNH2NR1I2CTSLCTSSCYP3A4
SCHEMBL13285980 0.88 KCNH2 (0.41) KCNH2NR1I2CTSLCTSSCYP3A4
SCHEMBL771927 0.88 KCNH2 (0.41) KCNH2NR1I2CTSLCTSSCYP3A4
SCHEMBL771672 0.88 KCNH2 (0.42) KCNH2NR1I2CTSLCTSSCYP3A4

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 7 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
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 KCNH2 3813/4885NR1I2 1189/4885CTSL 1165/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 KCNH2 3813/4885NR1I2 1189/4885CTSL 1165/4885

“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.