SCHEMBL3904145

SCHEMBL3904145

O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN12 Q05209 1/20 0.60
PTPN22 Q9Y2R2 1/20 0.60
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
MAP3K5 Q99683 7/20 0.51
PIK3CG P48736 3/20 0.49
HTRA2 O43464 1/20 0.49
USP2 O75604 1/20 0.49
DNMT1 P26358 1/20 0.49
BLM P54132 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
DUSP22 Q9NRW4 1/20 0.49
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3904147 1.00 PTPN12 (0.60) PTPN12PTPN22MEN1KMT2APOLB
SCHEMBL13479551 0.91 MEN1 (0.58) PTPN12PTPN22MEN1KMT2APOLB
SCHEMBL14860703 0.88 CFTR (0.51) PTPN12PTPN22MEN1KMT2APOLB
SCHEMBL14867595 0.88 PTPN12 (0.50) PTPN12PTPN22MEN1KMT2APOLB
SCHEMBL14860702 0.88 CFTR (0.51) PTPN12PTPN22MEN1KMT2APOLB
SCHEMBL23433257 0.88 CFTR (0.51) PTPN12PTPN22MEN1KMT2APOLB
SCHEMBL3894534 0.84 MAP3K5 (0.68) PTPN12PTPN22MEN1KMT2APOLB
SCHEMBL3894527 0.84 MAP3K5 (0.68) PTPN12PTPN22MEN1KMT2APOLB
SCHEMBL3890702 0.84 PTPN12 (0.66) PTPN12PTPN22MEN1KMT2APOLB
SCHEMBL3890707 0.84 PTPN12 (0.66) PTPN12PTPN22MEN1KMT2APOLB

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 8 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

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 PTPN12 3967/4885PTPN22 3961/4885MEN1 1562/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 PTPN12 3188/4885PTPN22 3667/4885MEN1 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.