SCHEMBL3890772

SCHEMBL3890772

Cc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 14/20 0.64
▸ MAPT P10636 13/20 0.64
▸ MEN1 O00255 12/20 0.64
▸ KDM4E B2RXH2 6/20 0.64
▸ MAPK1 P28482 5/20 0.64
▸ TDP1 Q9NUW8 5/20 0.64
▸ RECQL P46063 4/20 0.64
▸ ALDH1A1 P00352 9/20 0.53
▸ ALOX12 P18054 3/20 0.53
▸ MCL1 Q07820 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ POLB P06746 8/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ HPGD P15428 1/20 0.52
▸ L3MBTL1 Q9Y468 5/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ PKM P14618 2/20 0.50
▸ MAP3K5 Q99683 1/20 0.48
▸ GAA P10253 3/20 0.47
▸ ALPI P09923 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
SCHEMBL3890778 1.00 KMT2A (0.64) KMT2AMAPTMEN1KDM4EMAPK1
SCHEMBL3897874 0.84 MAPT (0.65) KMT2AMAPTMEN1KDM4EMAPK1
SCHEMBL3897872 0.84 MAPT (0.65) KMT2AMAPTMEN1KDM4EMAPK1
SCHEMBL3897777 0.84 MEN1 (0.65) KMT2AMAPTMEN1KDM4EMAPK1
SCHEMBL3897769 0.84 MEN1 (0.65) KMT2AMAPTMEN1KDM4EMAPK1
SCHEMBL3908212 0.82 MEN1 (0.66) KMT2AMAPTMEN1KDM4EMAPK1
SCHEMBL3908215 0.82 MEN1 (0.66) KMT2AMAPTMEN1KDM4EMAPK1
SCHEMBL6275007 0.82 MEN1 (0.66) KMT2AMAPTMEN1KDM4EMAPK1
SCHEMBL3895721 0.80 CFTR (0.63) KMT2AMAPTMEN1KDM4EMAPK1
SCHEMBL3895716 0.80 CFTR (0.63) KMT2AMAPTMEN1KDM4EMAPK1

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 9 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-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 KMT2A 901/4885MAPT 1187/4885MEN1 1562/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 KMT2A 1020/4885MAPT 880/4885MEN1 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.

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