SCHEMBL631065

SCHEMBL631065

C=CCSC(SCC=C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
ALOX5 P09917 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
CYP2C19 P33261 1/20 0.32
CPA1 P15085 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
TERT O14746 1/20 0.30
MDM4 O15151 1/20 0.30
TP53 P04637 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
SLC25A21 Q9BQT8 1/20 0.30

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
SCHEMBL11666761 0.80 TRPA1 (0.35) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL173836 0.78
SCHEMBL5526590 0.76
SCHEMBL444402 0.76
SCHEMBL10714605 0.76 TRPA1 (0.32) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL11543482 0.76
SCHEMBL8596276 0.73 TSHR (0.36)
SCHEMBL10260123 0.73 TSHR (0.31) TRPA1TERTMDM4TP53CTSL
SCHEMBL8979305 0.73 CPB1 (0.44) ALDH1A1SMN1; SMN2CYP2C19TDP1LMNA
SCHEMBL5138213 0.73 HTT (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462932-A1 S-dimethylarsino-thiosuccinic acid s-dimethylarsino-2-thiobenzoic acid s-(dimethylarsino) glutathione as treatments for cancer Board Of Regents, The University Of Texas System (US) 2012-06-13 EP disclosed
EP-2420229-A1 S-DIMETHYLARSINO-THIOSUCCINIC ACID S-DIMETHYLARSINO-2-THIOBENZOIC ACID S-(DIMETHYLARSINO) GLUTATHIONE AS TREATMENTS FOR CANCER Board Of Regents, University Of Texas System (US) 2012-02-22 EP disclosed
US-7619000-B2 S-dimethylarsino-thiosuccinic acid S-dimethylarsino-2-thiobenzoic acid S-(dimethylarsino) glutathione as treatments for cancer THE TEXAS A&M UNIVERSITY SYSTEM (US) 2009-11-17 US disclosed
US-20080090904-A1 S-dimethylarsino-thiosuccinic acid S-dimethylarsino-2-thiobenzoic acid S-(dimethylarsino) glutathione as treatments for cancer THE TEXAS A&M UNIVERSITY SYSTEM (US) 2008-04-17 US disclosed
US-20060189687-A1 S-dimethylarsino-thiosuccinic acid S-dimethylarsino-2-thiobenzoic acid S-(dimethylarsino) glutathione as treatments for cancer THE TEXAS A&M UNIVERSITY SYSTEM (US) 2006-08-24 US disclosed
EP-1474128-A4 S-DIMETHYLARSINO-THIOSUCCINIC ACID S-DIMETHYLARSINO-2-THIOBENZOIC ACID S-(DIMETHYLARSINO) GLUTATHIONE AS TREATMENTS FOR CANCER UNIV TEXAS (US) 2006-05-03 EP disclosed
US-6995188-B2 S-dimethylarsino-thiosuccinic acid s-dimethylarsino-2-thiobenzoic acid s-(dimethylarsino) glutathione as treatments for cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-02-07 US disclosed
US-6911471-B2 S-dimethylarsino-thiosuccinic acid s-dimethylarsino-2-thiobenzoic acid s-(dimethylarsino) glutathione as treatments for cancer THE TEXAS A&M UNIVERSITY SYSTEM (US) 2005-06-28 US disclosed
US-20050131062-A1 S-dimethylarsino-thiosuccinic acid s-dimethylarsino-2-thiobenzoic acid s-(dimethylarsino) glutathione as treatments for cancer THE TEXAS A&M UNIVERSITY SYSTEM (US) 2005-06-16 US disclosed
EP-1474128-A2 S−DIMETHYLARSINO−THIOSUCCINIC ACID S−DIMETHYLARSINO−2−THIOBENZOIC ACID S−(DIMETHYLARSINO) GLUTATHIONE AS TREATMENTS FOR CANCER BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2004-11-10 EP disclosed
US-20040034095-A1 S-dimethylarsino-thiosuccinic acid s-dimethylarsino-2-thiobenzoic acid s-(dimethylarsino) glutathione as treatments for cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-02-19 US disclosed
WO-2003057012-A2 S-DIMETHYLARSINO-THIOSUCCINIC ACID S-DIMETHYLARSINO-2-THIOBENZOIC ACID S-(DIMETHYLARSINO) GLUTATHIONE AS TREATMENTS FOR CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-07-17 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 (4 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-20050131062-A1 S-dimethylarsino-thiosuccinic acid s-dimethylarsino-2-thiobenzoic acid s-(dimethylarsino) glutathione as treatments for cancer AS3MT, GSTA1, GSTM1 TRPA1 1694/4885ALDH1A1 603/4885CYP3A4 981/4885
US-20060189687-A1 S-dimethylarsino-thiosuccinic acid S-dimethylarsino-2-thiobenzoic acid S-(dimethylarsino) glutathione as treatments for cancer AS3MT, GSTA1, GSTM1 TRPA1 1694/4885ALDH1A1 603/4885CYP3A4 981/4885
US-20040034095-A1 S-dimethylarsino-thiosuccinic acid s-dimethylarsino-2-thiobenzoic acid s-(dimethylarsino) glutathione as treatments for cancer AS3MT, GSTA1, GSTM1 TRPA1 1694/4885ALDH1A1 603/4885CYP3A4 981/4885
US-20080090904-A1 S-dimethylarsino-thiosuccinic acid S-dimethylarsino-2-thiobenzoic acid S-(dimethylarsino) glutathione as treatments for cancer AS3MT, GSTA1, GSTM1 TRPA1 1694/4885ALDH1A1 603/4885CYP3A4 981/4885

“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.