SCHEMBL3892072

SCHEMBL3892072

O=C1C(=Cc2ccc(I)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN12 Q05209 1/20 0.66
▸ PTPN22 Q9Y2R2 1/20 0.66
▸ MAP3K5 Q99683 3/20 0.52
▸ TDP1 Q9NUW8 5/20 0.51
▸ DUSP22 Q9NRW4 1/20 0.50
▸ MEN1 O00255 7/20 0.49
▸ KMT2A Q03164 7/20 0.49
▸ MAPT P10636 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ P4HB P07237 1/20 0.47
▸ POLB P06746 5/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ ALOX12 P18054 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL3892071 1.00 PTPN12 (0.66) PTPN12PTPN22MAP3K5TDP1DUSP22
SCHEMBL14859674 0.87 PTPN12 (0.85) PTPN12PTPN22MAP3K5TDP1DUSP22
SCHEMBL14859671 0.87 PTPN12 (0.85) PTPN12PTPN22MAP3K5TDP1DUSP22
SCHEMBL23692502 0.87 PTPN12 (0.85) PTPN12PTPN22MAP3K5TDP1DUSP22
SCHEMBL3899863 0.82 MEN1 (0.72) PTPN12PTPN22TDP1DUSP22MEN1
SCHEMBL3899866 0.82 MEN1 (0.72) PTPN12PTPN22TDP1DUSP22MEN1
SCHEMBL14867604 0.81 PTPN12 (0.75) PTPN12PTPN22MAP3K5TDP1DUSP22
SCHEMBL3896053 0.80 PTPN12 (1.00) PTPN12PTPN22MAP3K5DUSP22MEN1
SCHEMBL3894917 0.80 PTPN12 (0.74) PTPN12PTPN22MAP3K5TDP1MEN1
SCHEMBL3896055 0.80 PTPN12 (1.00) PTPN12PTPN22MAP3K5DUSP22MEN1

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 PTPN12 3967/4885PTPN22 3961/4885MAP3K5 1092/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 PTPN12 3188/4885PTPN22 3667/4885MAP3K5 1460/4885

“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.

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