SCHEMBL3896597

SCHEMBL3896597

O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)o2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.68
APEX1 P27695 1/20 0.66
DUSP22 Q9NRW4 5/20 0.61
MEN1 O00255 3/20 0.60
POLB P06746 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 1/20 0.60
RECQL P46063 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
SAE1 Q9UBE0 1/20 0.60
UBA2 Q9UBT2 1/20 0.60
GPR55 Q9Y2T6 1/20 0.60
MAP3K5 Q99683 1/20 0.59
PIK3CG P48736 2/20 0.59

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
SCHEMBL29554158 1.00 LCK (0.68) LCKAPEX1DUSP22MEN1POLB
SCHEMBL3896603 1.00 LCK (0.68) LCKAPEX1DUSP22MEN1POLB
SCHEMBL3904180 0.92 PTPN12 (0.66) LCKAPEX1DUSP22MEN1POLB
SCHEMBL29908306 0.92 LCK (0.80) LCKAPEX1DUSP22MEN1POLB
SCHEMBL3904183 0.92 PTPN12 (0.66) LCKAPEX1DUSP22MEN1POLB
SCHEMBL3892654 0.92 APEX1 (0.71) LCKAPEX1DUSP22MEN1POLB
SCHEMBL3892650 0.92 APEX1 (0.71) LCKAPEX1DUSP22MEN1POLB
SCHEMBL3896309 0.90 MEN1 (0.68) LCKAPEX1DUSP22MEN1POLB
SCHEMBL3896302 0.90 MEN1 (0.68) LCKAPEX1DUSP22MEN1POLB
SCHEMBL29554356 0.90 MEN1 (0.68) LCKAPEX1DUSP22MEN1POLB

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-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them RIGEL PHARMACEUTICALS, INC. (US) 2006-12-07 US disclosed
WO-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 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 LCK 3484/4885APEX1 1572/4885DUSP22 2602/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 LCK 1257/4885APEX1 888/4885DUSP22 2299/4885

“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.