SCHEMBL3897009

SCHEMBL3897009

O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 10/20 0.87
HIF1AN Q9NWT6 1/20 0.67
APEX1 P27695 1/20 0.62
MAPT P10636 1/20 0.62
MEN1 O00255 1/20 0.58
PKM P14618 1/20 0.58
KMT2A Q03164 1/20 0.58
MCL1 Q07820 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
DUSP3 P51452 1/20 0.58

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
SCHEMBL3897012 1.00 MAP3K5 (0.87) MAP3K5HIF1ANAPEX1MAPTMEN1
SCHEMBL6786647 0.92 MAP3K5 (0.74) MAP3K5HIF1ANMAPTMEN1PKM
SCHEMBL3897422 0.91 MAP3K5 (0.78) MAP3K5APEX1MAPTMEN1KMT2A
SCHEMBL3897417 0.91 MAP3K5 (0.78) MAP3K5APEX1MAPTMEN1KMT2A
SCHEMBL25152806 0.89 MAP3K5 (0.75) MAP3K5HIF1ANAPEX1MAPTMEN1
SCHEMBL3905770 0.87 HIF1AN (0.83) MAP3K5HIF1ANMAPTMEN1PKM
SCHEMBL3905768 0.87 HIF1AN (0.83) MAP3K5HIF1ANMAPTMEN1PKM
SCHEMBL3893490 0.86 MAP3K5 (1.00) MAP3K5HIF1ANAPEX1MAPTMEN1
SCHEMBL6720214 0.86 MAP3K5 (1.00) MAP3K5HIF1ANAPEX1MAPTMEN1
SCHEMBL3893493 0.86 MAP3K5 (1.00) MAP3K5HIF1ANAPEX1MAPTMEN1

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 11 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-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-20070202118-A1 NOVEL PEROXIREDOXIN DEFENSE SYSTEM FROM MYCOBACTERIUM TUBERCULOSIS CORNELL RESEARCH FOUNDATION, INC. (US) 2007-08-30 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 (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-20070202118-A1 NOVEL PEROXIREDOXIN DEFENSE SYSTEM FROM MYCOBACTERIUM TUBERCULOSIS PRDX3, PRDX5, DLD MAP3K5 3431/4885HIF1AN 1474/4885APEX1 424/4885
US-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them UBQLN1, UBQLN2, UBE2G2 MAP3K5 1092/4885HIF1AN 647/4885APEX1 1572/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 MAP3K5 1460/4885HIF1AN 714/4885APEX1 888/4885

“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.