SCHEMBL13610463

SCHEMBL13610463

COc1ccc(SSSCc2ccc3nonc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
APP P05067 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTPN11 Q06124 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAOB P27338 3/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL13610307 0.89 MAPK1 (0.48) MAPK1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL13610313 0.80 APP (0.53) ALDH1A1ALOX15TSHRNPC1RAB9A
SCHEMBL13610442 0.77 FBP1 (0.39) MAPK1ALDH1A1MAPTNPC1RAB9A
SCHEMBL13610359 0.74 APP (0.46) MAPK1ALDH1A1MAPTPOLBNPC1
SCHEMBL13610460 0.73 ALDH1A1 (0.48) MAPK1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL13610374 0.73 ALDH1A1 (0.42) MAPK1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL13610351 0.71 ALDH1A1 (0.48) MAPK1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL13610380 0.70 GRIN2B (0.45) ALDH1A1TSHRLMNAHCRTR1HCRTR2
SCHEMBL8363045 0.70 POLB (0.57) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL13780219 0.70 ALDH1A1 (0.53) MAPK1ALDH1A1ALOX15TSHRHSD17B10

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 MAPK1 4581/4885ALDH1A1 285/4885ALOX15 828/4885

“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.