SCHEMBL13610313

SCHEMBL13610313

COc1ccc(CSSSc2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.53
MAOB P27338 3/20 0.49
MAOA P21397 2/20 0.49
IDO1 P14902 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
PTGIR P43119 1/20 0.41
AGXT P21549 2/20 0.41
LTA4H P09960 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 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
SCHEMBL13610359 0.92 APP (0.46) APPMAOBMAOAIDO1ALDH1A1
SCHEMBL13610380 0.88 GRIN2B (0.45) APPMAOBMAOAIDO1ALDH1A1
SCHEMBL769511 0.82 IDO1 (0.59) APPMAOBMAOAIDO1SMN1; SMN2
SCHEMBL13610463 0.80 MAPK1 (0.47) APPMAOBMAOASMN1; SMN2ALDH1A1
SCHEMBL19869138 0.80 LTA4H (0.53) APPMAOBMAOAIDO1SMN1; SMN2
SCHEMBL19869076 0.80 LTA4H (0.53) APPMAOBMAOAIDO1ALDH1A1
SCHEMBL11021872 0.80 CA1 (0.58) APPIDO1ALDH1A1CYP3A4PTGIR
SCHEMBL4270701 0.80 CA1 (0.58) APPIDO1ALDH1A1CYP3A4PTGIR
SCHEMBL13610310 0.78 NPC1 (0.49) APPIDO1SMN1; SMN2ALDH1A1TP53
SCHEMBL13610442 0.77 FBP1 (0.39) APPMAOBMAOASMN1; SMN2ALDH1A1

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 APP 4780/4885MAOB 3717/4885MAOA 3951/4885

“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.