SCHEMBL772357

SCHEMBL772357

[CH2]C(=O)N1CCN(C(=O)OC2CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 17/20 0.47
TPSD1 Q9BZJ3 17/20 0.47
TPSG1 Q9NRR2 17/20 0.47
PRSS1 P07477 4/20 0.47
F2 P00734 2/20 0.44
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL16467967 0.84 HSD11B1 (0.48) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL16468337 0.84 TPSAB1 (0.47) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL12791455 0.82 HSD11B1 (0.47) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL13016393 0.82 HSD11B1 (0.52) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL12991729 0.82 HSD11B1 (0.52) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL1747845 0.81 TPSAB1 (0.46) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL21428432 0.81 LMNA (0.47) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL769896 0.80 TPSAB1 (0.49) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL8275268 0.79 TPSAB1 (0.51) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL21428419 0.79 LMNA (0.50) TPSAB1TPSD1TPSG1PRSS1F2

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 TPSAB1 3073/4885TPSD1 3640/4885TPSG1 3411/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 TPSAB1 1944/4885TPSD1 1366/4885TPSG1 2558/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 TPSAB1 3073/4885TPSD1 3640/4885TPSG1 3411/4885

“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.