SCHEMBL3897410

SCHEMBL3897410

O=C(O)c1cccc(-c2ccc(C=C3SC(=S)N(C4CCCCC4)C3=O)o2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.66
PIK3CG P48736 2/20 0.61
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
POLB P06746 6/20 0.57
GSK3A P49840 2/20 0.55
GSK3B P49841 2/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LCK P06239 1/20 0.54
MAPT P10636 3/20 0.51
GPR55 Q9Y2T6 1/20 0.51
SNRNP200 O75643 1/20 0.51
EIF4A3 P38919 1/20 0.51
EIF4A1 P60842 1/20 0.51
DHX29 Q7Z478 1/20 0.51
MAP3K5 Q99683 2/20 0.50

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
SCHEMBL3896679 1.00 APEX1 (0.66) APEX1PIK3CGMEN1KMT2APOLB
SCHEMBL30089282 1.00 APEX1 (0.66) APEX1PIK3CGMEN1KMT2APOLB
SCHEMBL3899841 0.89 STAT3 (0.63) APEX1MEN1KMT2APOLBRAB9A
SCHEMBL3899838 0.89 STAT3 (0.63) APEX1MEN1KMT2APOLBRAB9A
SCHEMBL13220180 0.88 MEN1 (0.69) PIK3CGMEN1KMT2APOLBL3MBTL1
SCHEMBL2896716 0.88 MEN1 (0.69) PIK3CGMEN1KMT2APOLBL3MBTL1
SCHEMBL2898197 0.88 MEN1 (0.69) PIK3CGMEN1KMT2APOLBL3MBTL1
SCHEMBL2898198 0.88 MEN1 (0.69) PIK3CGMEN1KMT2APOLBL3MBTL1
SCHEMBL2897863 0.88 MEN1 (0.69) PIK3CGMEN1KMT2APOLBL3MBTL1
SCHEMBL2896709 0.88 MEN1 (0.69) PIK3CGMEN1KMT2APOLBL3MBTL1

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 5 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-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

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 APEX1 1572/4885PIK3CG 759/4885MEN1 1562/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 APEX1 888/4885PIK3CG 559/4885MEN1 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.