SCHEMBL2086769

SCHEMBL2086769

NC(=S)NC1OC(CO)C(O)C(O)C1O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 7/20 0.56
▸ GAA P10253 1/20 0.56
▸ CA1 P00915 8/20 0.53
▸ CA2 P00918 8/20 0.53
▸ CA9 Q16790 8/20 0.53
▸ CA12 O43570 7/20 0.53
▸ CA14 Q9ULX7 4/20 0.49
▸ AKR1B1 P15121 1/20 0.47

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
SCHEMBL27719976 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL7121127 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL29936756 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL31259342 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL30802065 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL1520710 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL8651363 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL1520707 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL7125701 1.00 PYGB (0.56) PYGBGAACA1CA2CA9
SCHEMBL11416148 0.85 PYGB (0.59) PYGBGAACA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716493-B2 Multicyclic compounds and the use thereof CEPHALON, INC. (US) 2014-05-06 — — US disclosed
EP-2066324-B1 CYCLOALKANOPYROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON INC (US) 2013-05-29 — — EP disclosed
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF CEPHALON, INC. (US) 2011-03-10 — — US disclosed
EP-2050750-B1 Multicyclic compounds and their use as inhibitors of PARP, VEGFR2 and MLK3 enzymes CEPHALON INC (US) 2010-09-22 — — EP disclosed
EP-2066324-A2 CYCLOALKANOPYROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON, INC. (US) 2009-06-10 — — EP disclosed
EP-2050750-A2 Multicyclic compounds and their use as inhibitors of PARP, VEGFR2 and MLK3 enzymes CEPHALON, INC. (US) 2009-04-22 — — EP disclosed
WO-2007149451-A2 CYCLOALKANOPYRROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON, INC. (US) 2007-12-27 — — WO disclosed
EP-1754707-A2 Multicyclic compounds and their use as inhibitors of PARP, VEGFR2 and MLK3 enzymes CEPHALON, INC. (US) 2007-02-21 — — EP disclosed
US-20060276497-A1 Novel multicyclic compounds and the use thereof CEPHALON, INC. (US) 2006-12-07 — — US disclosed
US-7122679-B2 Multicyclic compounds and the use thereof CEPHALON, INC. (US) 2006-10-17 — — US disclosed
EP-1294725-B1 MULTICYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PARP, VEGFR2 AND MLK3 ENZYMES CEPHALON INC (US) 2006-01-04 — — EP disclosed
EP-1294725-A2 MULTICYCLIC COMPOUNDS AND THE USE THEREOF AS INHIBITORS OF PARP, VEGFR2 AND MLK3 ENZYMES CEPHALON, INC. (US) 2003-03-26 — — EP disclosed
US-20020028815-A1 Novel multicyclic compounds and the use thereof CEPHALON, INC. 2002-03-07 — — US disclosed
WO-2001085686-A2 MULTICYCLIC COMPOUNDS AND THE USE AS INHIBITORS OF PARP, VEGFR2 AND MLK3 ENZYMES CEPHALON, INC. (US) 2001-11-15 — — WO 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-20060276497-A1 Novel multicyclic compounds and the use thereof MLKL, PARP3, PARP1 PYGB 124/4885GAA 1180/4885CA1 3731/4885
US-20020028815-A1 Novel multicyclic compounds and the use thereof MLKL, PARP3, PARP1 PYGB 124/4885GAA 1180/4885CA1 3731/4885
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 PYGB 124/4885GAA 1180/4885CA1 3731/4885

“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.

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