SCHEMBL771776

SCHEMBL771776

[CH2]CN(C)C(=O)OC1CCN(S(C)(=O)=O)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
BCHE P06276 4/20 0.39
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
RORC P51449 2/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL772230 0.92 POLB (0.44) L3MBTL1HTTPOLBBCHETP53
SCHEMBL772363 0.80 CHRM3 (0.54) L3MBTL1HTTPOLBBCHECHRM4
SCHEMBL771699 0.77 BCHE (0.41) BCHECHRM4CHRM5CHRM1CHRM3
SCHEMBL772546 0.76 CHRM3 (0.51) BCHECHRM4CHRM5CHRM1CHRM3
SCHEMBL5253912 0.76 TP53 (0.46) L3MBTL1HTTGAATP53NPSR1
SCHEMBL771751 0.75 POLB (0.51) L3MBTL1HTTGAAPOLBTP53
SCHEMBL770930 0.75 BCHE (0.42) L3MBTL1BCHECHRM4CHRM5CHRM1
SCHEMBL771635 0.74 BCHE (0.47) L3MBTL1BCHECHRM4CHRM5CHRM1
SCHEMBL21938016 0.74 TP53 (0.45) L3MBTL1HTTGAATP53NPSR1
SCHEMBL771662 0.74 BCHE (0.46) POLBBCHERORCCHRM4CHRM5

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 8 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
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US 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
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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 (3 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 L3MBTL1 4435/4885HTT 1606/4885GAA 374/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 L3MBTL1 3931/4885HTT 2099/4885GAA 995/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 L3MBTL1 4435/4885HTT 1606/4885GAA 374/4885

“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.