SCHEMBL3893592

SCHEMBL3893592

O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.81
APEX1 P27695 1/20 0.78
PTPN22 Q9Y2R2 3/20 0.74
MAPT P10636 1/20 0.69
PTPN12 Q05209 1/20 0.67
MAP3K5 Q99683 4/20 0.66
HIF1AN Q9NWT6 1/20 0.66
MEN1 O00255 1/20 0.61
PKM P14618 1/20 0.61
KMT2A Q03164 1/20 0.61
MCL1 Q07820 1/20 0.61
TDP1 Q9NUW8 1/20 0.61

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
SCHEMBL3893598 1.00 STAT3 (0.81) STAT3APEX1PTPN22MAPTPTPN12
SCHEMBL16492645 0.90 PTPN22 (0.75) STAT3APEX1PTPN22MAPTMAP3K5
SCHEMBL3893475 0.90 PTPN22 (0.72) STAT3APEX1PTPN22MAPTMAP3K5
SCHEMBL3893480 0.90 PTPN22 (0.72) STAT3APEX1PTPN22MAPTMAP3K5
SCHEMBL13056366 0.90 MAPT (0.79) STAT3APEX1PTPN22MAPTMAP3K5
SCHEMBL13056328 0.89 HIF1AN (0.81) STAT3APEX1PTPN22MAPTMAP3K5
SCHEMBL3893594 0.89 MEN1 (0.72) STAT3APEX1PTPN22MAPTMAP3K5
SCHEMBL16496688 0.89 STAT3 (1.00) STAT3APEX1PTPN22PTPN12MAP3K5
SCHEMBL8594082 0.89 MAP3K5 (0.78) STAT3APEX1PTPN22MAPTMAP3K5
SCHEMBL8594085 0.89 MAP3K5 (0.78) STAT3APEX1PTPN22MAPTMAP3K5

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 9 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
US-7566732-B2 Rhodanine compositions for use as antiviral agents RIGEL PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
US-7566732-B2 Rhodanine compositions for use as antiviral agents RIGEL PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
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-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 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
WO-2004043955-A1 RHODANINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RIGEL PHARMACEUTICALS, INC. (US) 2004-05-27 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 (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 STAT3 1781/4885APEX1 1572/4885PTPN22 3961/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 STAT3 3636/4885APEX1 888/4885PTPN22 3667/4885

“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.