SCHEMBL3900339

SCHEMBL3900339

O=C1C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1Cc1ccco1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 6/20 0.62
▸ MEN1 O00255 4/20 0.54
▸ POLB P06746 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ CRHBP P24387 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ DNMT1 P26358 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ STAT3 P40763 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ RECQL P46063 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ALOX12 P18054 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
SCHEMBL3900336 1.00 MAP3K5 (0.62) MAP3K5MEN1POLBKMT2AALDH1A1
SCHEMBL5992796 1.00 MAP3K5 (0.62) MAP3K5MEN1POLBKMT2AALDH1A1
SCHEMBL46219 0.91 ALDH1A1 (0.61) MEN1POLBKMT2AALDH1A1CRHBP
SCHEMBL5991871 0.90 HIF1AN (0.64) MAP3K5MEN1POLBKMT2AALDH1A1
SCHEMBL14860649 0.90 HIF1AN (0.64) MAP3K5MEN1POLBKMT2AALDH1A1
SCHEMBL14860651 0.90 HIF1AN (0.64) MAP3K5MEN1POLBKMT2AALDH1A1
SCHEMBL12291214 0.90 ITGB2 (0.59) MAP3K5MEN1POLBKMT2ACYP1A2
SCHEMBL3904831 0.87 MEN1 (0.54) MAP3K5MEN1POLBKMT2AALDH1A1
SCHEMBL14859642 0.87 MAP3K5 (0.66) MAP3K5MEN1POLBKMT2AALDH1A1
SCHEMBL14867614 0.87 MAP3K5 (0.66) MAP3K5MEN1POLBKMT2AALDH1A1

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 MAP3K5 1092/4885MEN1 1562/4885POLB 2008/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 MAP3K5 1460/4885MEN1 2869/4885POLB 433/4885

“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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