SCHEMBL3029649

SCHEMBL3029649

O=[C]c1ccc(CN2C(=O)CSC2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.66
GSK3B P49841 3/20 0.66
POLB P06746 2/20 0.61
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
ALDH1A1 P00352 5/20 0.49
PIM1 P11309 1/20 0.48
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
THRB P10828 2/20 0.44
HTT P42858 2/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 2/20 0.43
GFER P55789 1/20 0.41
PPARG P37231 1/20 0.40
CA9 Q16790 1/20 0.38

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
SCHEMBL7252535 0.88 GSK3A (0.82) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL5454906 0.81 GSK3A (0.72) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL5462888 0.80 GSK3A (0.70) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL5454963 0.80 GSK3A (0.70) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL6692164 0.80 GSK3A (0.70) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL1555025 0.80 GSK3A (0.70) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL4324858 0.80 GSK3A (0.70) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL338442 0.80 GSK3A (1.00) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL5457409 0.77 GSK3A (0.81) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL5455248 0.76 POLB (0.73) GSK3AGSK3BPOLBHDAC1HDAC6

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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 (5 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 GSK3A 3611/4885GSK3B 3459/4885POLB 4226/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 GSK3A 490/4885GSK3B 466/4885POLB 4281/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 GSK3A 415/4885GSK3B 393/4885POLB 4346/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 GSK3A 1915/4885GSK3B 1912/4885POLB 3851/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 GSK3A 2761/4885GSK3B 2443/4885POLB 2808/4885

“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.