SCHEMBL3963776

SCHEMBL3963776

O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1CCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 9/20 0.64
EP300 Q09472 1/20 0.62
CREBBP Q92793 1/20 0.62
ITGB2 P05107 2/20 0.61
ITGAM P11215 2/20 0.61
ENPP2 Q13822 1/20 0.58
HIF1AN Q9NWT6 1/20 0.56
MAPT P10636 2/20 0.56
EIF4E P06730 1/20 0.56
EIF4G1 Q04637 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
THRB P10828 1/20 0.56
RECQL P46063 1/20 0.56
KMT2A Q03164 1/20 0.56
MCL1 Q07820 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
DUSP3 P51452 1/20 0.55

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
SCHEMBL3963779 1.00 MAP3K5 (0.64) MAP3K5EP300CREBBPITGB2ITGAM
SCHEMBL3905845 0.91 MAP3K5 (0.77) MAP3K5EP300CREBBPENPP2MAPT
SCHEMBL6282271 0.91 MAP3K5 (0.77) MAP3K5EP300CREBBPENPP2MAPT
SCHEMBL3905850 0.91 MAP3K5 (0.77) MAP3K5EP300CREBBPENPP2MAPT
SCHEMBL3893795 0.87 EP300 (0.78) MAP3K5EP300CREBBPENPP2HIF1AN
SCHEMBL3893797 0.87 EP300 (0.78) MAP3K5EP300CREBBPENPP2HIF1AN
SCHEMBL3893925 0.86 MAP3K5 (0.79) MAP3K5ITGB2ITGAMHIF1ANMAPT
SCHEMBL3893918 0.86 MAP3K5 (0.79) MAP3K5ITGB2ITGAMHIF1ANMAPT
SCHEMBL3894013 0.84 MAP3K5 (0.79) MAP3K5ITGB2ITGAMHIF1ANMAPT
SCHEMBL3894018 0.84 MAP3K5 (0.79) MAP3K5ITGB2ITGAMHIF1ANMAPT

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 10 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-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
WO-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 WO disclosed
WO-2004043955-A1 RHODANINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RIGEL PHARMACEUTICALS, INC. (US) 2004-05-27 WO 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 1092/4885EP300 667/4885CREBBP 1644/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 MAP3K5 1460/4885EP300 1540/4885CREBBP 3071/4885

“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.