SCHEMBL13610359

SCHEMBL13610359

COc1ccc(SSSCc2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
MAOB P27338 5/20 0.43
MAOA P21397 3/20 0.43
NFE2L2 Q16236 1/20 0.42
IDO1 P14902 2/20 0.41
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL13610313 0.92 APP (0.53) APPMAOBMAOAIDO1MEN1
SCHEMBL13610380 0.84 GRIN2B (0.45) APPMAOBMAOAIDO1ALDH1A1
SCHEMBL769511 0.75 IDO1 (0.59) APPMAOBMAOAIDO1ALDH1A1
SCHEMBL21190022 0.74 APP (0.46) APPMAOBMAOANFE2L2IDO1
SCHEMBL21190042 0.74 APP (0.46) APPMAOBMAOANFE2L2IDO1
SCHEMBL13610392 0.74 GAA (0.49) MAOBIDO1KDM4EMEN1POLB
SCHEMBL13610463 0.74 MAPK1 (0.47) APPMAOBMAOAMAPK1MEN1
SCHEMBL19869076 0.73 LTA4H (0.53) APPMAOBMAOAIDO1MAPT
SCHEMBL19869138 0.73 LTA4H (0.53) APPMAOBMAOAIDO1MEN1
SCHEMBL1740610 0.73 IDO1 (0.50) MAOBMAOAIDO1KMT2ANPC1

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.