SCHEMBL3890920

SCHEMBL3890920

O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 3/20 0.70
MAPT P10636 5/20 0.65
MEN1 O00255 4/20 0.65
ALDH1A1 P00352 4/20 0.65
KMT2A Q03164 4/20 0.65
RECQL P46063 3/20 0.65
MCL1 Q07820 3/20 0.65
POLB P06746 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
EIF4E P06730 1/20 0.65
EIF4G1 Q04637 1/20 0.65
THRB P10828 1/20 0.65
LMNA P02545 2/20 0.60
ALOX12 P18054 2/20 0.60
ENPP2 Q13822 1/20 0.60
APEX1 P27695 1/20 0.57
NLRP3 Q96P20 1/20 0.57
SYK P43405 1/20 0.56
RXRA P19793 1/20 0.56

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
SCHEMBL8289174 1.00 MAP3K5 (0.70) MAP3K5MAPTMEN1ALDH1A1KMT2A
SCHEMBL3890923 1.00 MAP3K5 (0.70) MAP3K5MAPTMEN1ALDH1A1KMT2A
SCHEMBL6092744 0.90 MEN1 (0.66) MAP3K5MAPTMEN1ALDH1A1KMT2A
SCHEMBL6092742 0.90 MEN1 (0.66) MAP3K5MAPTMEN1ALDH1A1KMT2A
SCHEMBL3132328 0.87 MAPT (0.73) MAP3K5MAPTMEN1ALDH1A1KMT2A
SCHEMBL3132319 0.87 MAPT (0.73) MAP3K5MAPTMEN1ALDH1A1KMT2A
SCHEMBL3132334 0.87 MAPT (0.73) MAP3K5MAPTMEN1ALDH1A1KMT2A
SCHEMBL3897417 0.87 MAP3K5 (0.78) MAP3K5MAPTMEN1ALDH1A1KMT2A
SCHEMBL3897422 0.87 MAP3K5 (0.78) MAP3K5MAPTMEN1ALDH1A1KMT2A
SCHEMBL25152806 0.87 MAP3K5 (0.75) MAP3K5MAPTMEN1ALDH1A1KMT2A

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-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
EP-1597255-A1 RHODANINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Rigel Pharmaceuticals, Inc. (US) 2005-11-23 EP disclosed
WO-2004043955-A1 RHODANINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RIGEL PHARMACEUTICALS, INC. (US) 2004-05-27 WO 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 MAP3K5 1092/4885MAPT 1187/4885MEN1 1562/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 MAP3K5 1460/4885MAPT 880/4885MEN1 2869/4885

“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.