Sugi Predict

Sugi Predict / Compounds / SCHEMBL3908262

SCHEMBL3908262

SCHEMBL3908262

O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN12 Q05209 1/20 0.58
▸ PTPN22 Q9Y2R2 1/20 0.58
▸ MAP3K5 Q99683 5/20 0.57
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ BLM P54132 3/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ MAPT P10636 5/20 0.56
▸ GSK3A P49840 1/20 0.55
▸ GSK3B P49841 1/20 0.55
▸ DUSP3 P51452 1/20 0.54
▸ POLB P06746 4/20 0.53
▸ PLA2G1B P04054 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ ATG4B Q9Y4P1 1/20 0.53
▸ BRAF P15056 1/20 0.52

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
SCHEMBL3908266 1.00 PTPN12 (0.58) PTPN12PTPN22MAP3K5MEN1KMT2A
SCHEMBL3890707 0.92 PTPN12 (0.66) PTPN12PTPN22MAP3K5MEN1KMT2A
SCHEMBL3890702 0.92 PTPN12 (0.66) PTPN12PTPN22MAP3K5MEN1KMT2A
SCHEMBL29394236 0.86 MAPT (0.68) PTPN12PTPN22MAP3K5MEN1KMT2A
SCHEMBL29901228 0.85 PTPN22 (0.62) PTPN12PTPN22MAP3K5MEN1KMT2A
SCHEMBL13236123 0.85 MAP3K5 (0.70) PTPN12PTPN22MAP3K5MEN1KMT2A
SCHEMBL3892793 0.83 MAPT (0.69) PTPN12PTPN22MAP3K5MEN1KMT2A
SCHEMBL7859600 0.83 MAPT (0.69) PTPN12PTPN22MAP3K5MEN1KMT2A
SCHEMBL3892790 0.83 MAPT (0.69) PTPN12PTPN22MAP3K5MEN1KMT2A
SCHEMBL3896302 0.83 MEN1 (0.68) PTPN12PTPN22MAP3K5MEN1KMT2A

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 7 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-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.