SCHEMBL3894445

SCHEMBL3894445

O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 4/20 0.64
MAPT P10636 4/20 0.58
POLB P06746 4/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
THRB P10828 2/20 0.58
EIF4E P06730 1/20 0.58
EIF4G1 Q04637 1/20 0.58
RECQL P46063 1/20 0.58
MCL1 Q07820 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HTRA2 O43464 1/20 0.56
LMNA P02545 1/20 0.55
RAB9A P51151 1/20 0.55
PTPN12 Q05209 1/20 0.55
PTPN22 Q9Y2R2 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL3894449 1.00 MAP3K5 (0.64) MAP3K5MAPTPOLBALDH1A1MEN1
SCHEMBL6786241 0.89 PTPN12 (0.70) MAP3K5MAPTPOLBALDH1A1MEN1
SCHEMBL3904845 0.88 HTRA2 (0.73) MAP3K5MAPTPOLBALDH1A1MEN1
SCHEMBL6275904 0.88 HTRA2 (0.73) MAP3K5MAPTPOLBALDH1A1MEN1
SCHEMBL3904848 0.88 HTRA2 (0.73) MAP3K5MAPTPOLBALDH1A1MEN1
SCHEMBL29394236 0.88 MAPT (0.68) MAP3K5MAPTPOLBALDH1A1MEN1
SCHEMBL3895634 0.87 POLB (0.72) MAP3K5MAPTPOLBALDH1A1MEN1
SCHEMBL3895627 0.87 POLB (0.72) MAP3K5MAPTPOLBALDH1A1MEN1
SCHEMBL15374280 0.87 POLB (0.72) MAP3K5MAPTPOLBALDH1A1MEN1
SCHEMBL3892037 0.84 MAP3K5 (0.79) MAP3K5MAPTPOLBALDH1A1MEN1

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 10 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-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 MAP3K5 1092/4885MAPT 1187/4885POLB 2008/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 MAP3K5 1460/4885MAPT 880/4885POLB 433/4885

“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.