SCHEMBL4267616

SCHEMBL4267616

Clc1ccc(CSSSCc2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2D6 P10635 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A4 P31645 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
SCHEMBL9976788 0.95 IDO1 (0.50) IDO1MEN1KMT2AMAPK1NPC1
SCHEMBL4276285 0.91 L3MBTL1 (0.53) IDO1MEN1KMT2AMAPK1NPC1
SCHEMBL1082679 0.89 IDO1 (0.54) IDO1MEN1KMT2AMAPK1NPC1
SCHEMBL9976774 0.84 BCHE (0.54) IDO1MEN1KMT2AMAPK1NPC1
SCHEMBL9976771 0.78 BCHE (0.58) IDO1MEN1KMT2AMAPK1NPC1
SCHEMBL3674399 0.78 CYP1A2 (0.63) IDO1MEN1KMT2AMAPK1NPC1
SCHEMBL30571172 0.75 POLB (0.46) IDO1MEN1KMT2AMAPK1NPC1
SCHEMBL4263212 0.74 IDO1 (0.50) IDO1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL1740610 0.74 IDO1 (0.50) IDO1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL28444031 0.74 ESR1 (0.50) IDO1MEN1KMT2ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622507-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES INC. (US) 2009-11-24 US claimed
EP-1742635-A2 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF Acea Biosciences, Inc. (US) 2007-01-17 EP claimed
WO-2005112933-A2 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES INC. (US) 2005-12-01 WO claimed
US-20050261321-A1 Substituted organosulfur compounds and methods of using thereof ACEA Therapeutics, Inc. 2005-11-24 US claimed
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-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
EP-1742635-A2 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF Acea Biosciences, Inc. (US) 2007-01-17 EP disclosed
WO-2005112933-A2 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES INC. (US) 2005-12-01 WO disclosed
US-20050261321-A1 Substituted organosulfur compounds and methods of using thereof ACEA Therapeutics, Inc. 2005-11-24 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 (2 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 IDO1 1114/4885MEN1 2581/4885KMT2A 646/4885
US-20050261321-A1 Substituted organosulfur compounds and methods of using thereof TST, CTH, CBS IDO1 1114/4885MEN1 2581/4885KMT2A 646/4885

“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.