SCHEMBL8913287

SCHEMBL8913287

Cc1ccc(CC2SC(=O)NC2=O)cc1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.76
NPSR1 Q6W5P4 1/20 0.76
MAOA P21397 2/20 0.70
CISD1 Q9NZ45 2/20 0.70
MAOB P27338 1/20 0.70
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
LMNA P02545 1/20 0.63
PTBP1 P26599 1/20 0.63
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MAPT P10636 2/20 0.60
PTPN1 P18031 2/20 0.54
PPARG P37231 5/20 0.54
FFAR1 O14842 5/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
PPARA Q07869 2/20 0.49
AKT1 P31749 1/20 0.48
PIK3CA P42336 1/20 0.48

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
SCHEMBL9570630 0.87 ALDH1A1 (0.67) ALDH1A1NPSR1MAOACISD1MAOB
SCHEMBL9570559 0.83 MAPT (0.83) ALDH1A1NPSR1MAOACISD1MAOB
SCHEMBL22971780 0.83 MAOA (1.00) ALDH1A1NPSR1MAOACISD1MAOB
SCHEMBL1411677 0.82 MAPT (0.71) ALDH1A1NPSR1MAOACISD1MAOB
SCHEMBL8182157 0.79 MAPT (0.62) ALDH1A1NPSR1MAOACISD1MAOB
SCHEMBL22971778 0.79 MAOA (1.00) ALDH1A1NPSR1MAOACISD1MAOB
SCHEMBL290413 0.78 MAPT (0.75) ALDH1A1NPSR1MAOACISD1MAOB
SCHEMBL8182679 0.78 PTPN1 (0.79) ALDH1A1NPSR1MAOACISD1MAOB
SCHEMBL13846702 0.77 PPARG (0.59) ALDH1A1NPSR1MAOACISD1MAOB
Glitazone SCHEMBL623021 0.77 MAPT (0.73) ALDH1A1NPSR1MAOACISD1MAOB

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-4376777-A Thiazolidine derivatives use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-03-15 US claimed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 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-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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 (3 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 ALDH1A1 565/4885NPSR1 885/4885MAOA 624/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885NPSR1 1788/4885MAOA 3148/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885NPSR1 1136/4885MAOA 317/4885

“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.