SCHEMBL13610294

SCHEMBL13610294

COc1ccc(CSSSCc2ccco2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
POLB P06746 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HTT P42858 2/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.45
TSHR P16473 2/20 0.44
OPRK1 P41145 1/20 0.44
CYP19A1 P11511 1/20 0.41
LMNA P02545 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL13610366 0.81 RAB9A (0.46) ALDH1A1MAPTPOLBHSD17B10HTT
SCHEMBL25435114 0.80 TSHR (0.47) ALDH1A1MAPTPOLBHSD17B10HPGD
SCHEMBL13610336 0.80 MEN1 (0.53) ALDH1A1MAPTPOLBHSD17B10HTT
SCHEMBL28091649 0.77 LTA4H (0.55) ALDH1A1MAPTPOLBHSD17B10HTT
SCHEMBL30011285 0.76 ALDH1A1 (0.50) ALDH1A1MAPTPOLBHSD17B10HTT
SCHEMBL25435426 0.76 TSHR (0.43) ALDH1A1MAPTPOLBHSD17B10HTT
SCHEMBL28879016 0.76 ALDH1A1 (0.59) ALDH1A1MAPTPOLBHSD17B10HTT
SCHEMBL769511 0.74 IDO1 (0.59) ALDH1A1ALOX15SMN1; SMN2TSHRIDO1
SCHEMBL29127681 0.73 ALDH1A1 (0.41) ALDH1A1MAPTPOLBHSD17B10HTT
SCHEMBL13610295 0.73 L3MBTL1 (0.50) ALDH1A1POLBHSD17B10HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742635-B1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES INC (US) 2018-03-07 EP disclosed
US-8334316-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES, INC. (US) 2012-12-18 US disclosed
US-8334316-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES, INC. (US) 2012-12-18 US disclosed
US-7622507-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES INC. (US) 2009-11-24 US disclosed
US-7622507-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES INC. (US) 2009-11-24 US disclosed
US-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES, INC. (US) 2009-07-30 US disclosed
US-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES, INC. (US) 2009-07-30 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 (1 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-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF TST, CTH, CBS ALDH1A1 285/4885MAPT 3990/4885POLB 1926/4885

“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.