SCHEMBL3893385

SCHEMBL3893385

O=C1C(=Cc2ccco2)SC(=S)N1NS(=O)(=O)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 15/20 0.77
▸ MEN1 O00255 13/20 0.77
▸ MAPT P10636 9/20 0.77
▸ RECQL P46063 4/20 0.77
▸ MAPK1 P28482 3/20 0.77
▸ KDM4E B2RXH2 3/20 0.77
▸ TDP1 Q9NUW8 3/20 0.77
▸ PLA2G1B P04054 2/20 0.77
▸ MCL1 Q07820 2/20 0.77
▸ ATG4B Q9Y4P1 2/20 0.77
▸ APEX1 P27695 2/20 0.77
▸ BLM P54132 2/20 0.77
▸ USP2 O75604 1/20 0.77
▸ GLA P06280 1/20 0.77
▸ DGKA P23743 1/20 0.77
▸ CRHBP P24387 3/20 0.65
▸ CRHR2 Q13324 3/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ L3MBTL1 Q9Y468 3/20 0.60

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
SCHEMBL3893383 1.00 KMT2A (0.77) KMT2AMEN1MAPTRECQLMAPK1
SCHEMBL14680208 0.87 MAPT (1.00) KMT2AMEN1MAPTRECQLMAPK1
SCHEMBL29354790 0.87 MAPT (1.00) KMT2AMEN1MAPTRECQLMAPK1
SCHEMBL6906446 0.83 KMT2A (0.86) KMT2AMEN1MAPTRECQLMAPK1
SCHEMBL6906444 0.83 KMT2A (0.86) KMT2AMEN1MAPTRECQLMAPK1
SCHEMBL3969214 0.80 MEN1 (0.69) KMT2AMEN1MAPTRECQLMAPK1
SCHEMBL3969218 0.80 MEN1 (0.69) KMT2AMEN1MAPTRECQLMAPK1
SCHEMBL6898866 0.79 KMT2A (1.00) KMT2AMEN1MAPTRECQLMAPK1
SCHEMBL6898863 0.79 KMT2A (1.00) KMT2AMEN1MAPTRECQLMAPK1
SCHEMBL6786118 0.78 KMT2A (0.81) KMT2AMEN1MAPTRECQLMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 — — US claimed
WO-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 — — WO claimed
US-7566732-B2 Rhodanine compositions for use as antiviral agents RIGEL PHARMACEUTICALS, INC. (US) 2009-07-28 — — US disclosed
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 — — US disclosed
US-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them RIGEL PHARMACEUTICALS, INC. (US) 2006-12-07 — — 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 (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-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them UBQLN1, UBQLN2, UBE2G2 KMT2A 901/4885MEN1 1562/4885MAPT 1187/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 KMT2A 1020/4885MEN1 2869/4885MAPT 880/4885

“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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