SCHEMBL3893471

SCHEMBL3893471

Cc1ccc(C=C2SC(=S)N(C(C(=O)O)C(C)C)C2=O)o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.64
KMT2A Q03164 10/20 0.64
MCL1 Q07820 3/20 0.64
BCL2 P10415 2/20 0.64
BCL2L1 Q07817 1/20 0.64
BAK1 Q16611 1/20 0.64
MAPT P10636 7/20 0.60
POLB P06746 5/20 0.57
ALDH1A1 P00352 4/20 0.57
LMNA P02545 2/20 0.57
GAA P10253 2/20 0.57
RECQL P46063 4/20 0.56
KDM4E B2RXH2 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
BLM P54132 3/20 0.56
ALOX12 P18054 2/20 0.56
TNNI3 P19429 2/20 0.56
TNNT2 P45379 2/20 0.56
TNNC1 P63316 2/20 0.56
USP2 O75604 2/20 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
SCHEMBL3893468 1.00 MEN1 (0.64) MEN1KMT2AMCL1BCL2BCL2L1
SCHEMBL3896692 0.82 MAP3K5 (0.75) MEN1KMT2AMCL1BCL2BCL2L1
SCHEMBL3896690 0.82 MAP3K5 (0.75) MEN1KMT2AMCL1BCL2BCL2L1
SCHEMBL13812532 0.81 BCL2 (0.80) MEN1KMT2AMCL1BCL2BCL2L1
SCHEMBL5970105 0.81 BCL2 (0.80) MEN1KMT2AMCL1BCL2BCL2L1
SCHEMBL5970104 0.81 BCL2 (0.80) MEN1KMT2AMCL1BCL2BCL2L1
SCHEMBL13982547 0.79 BCL2 (0.80) MEN1KMT2AMCL1BCL2BCL2L1
SCHEMBL4264548 0.78 BCL2 (1.00) MEN1KMT2AMCL1BCL2BCL2L1
SCHEMBL158041 0.78 BCL2 (1.00) MEN1KMT2AMCL1BCL2BCL2L1
SCHEMBL14163443 0.78 KMT2A (0.78) MEN1KMT2AMCL1BCL2BCL2L1

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 4 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
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 MEN1 1562/4885KMT2A 901/4885MCL1 170/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 MEN1 2869/4885KMT2A 1020/4885MCL1 565/4885

“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.