SCHEMBL4264261

SCHEMBL4264261

Clc1ccccc1CSSSCc1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
IDO1 P14902 5/20 0.52
TAAR1 Q96RJ0 5/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 3/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PNMT P11086 1/20 0.50
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL9976780 0.95 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1149876 0.90 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3673783 0.80 CYP1A2 (0.69) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22430855 0.76 IDO1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL515041 0.76 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL515040 0.76 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3634170 0.73 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13938761 0.73 CYP1A2 (0.71) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10679360 0.73 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4753818 0.73 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP1A2 3924/4885CYP3A4 3786/4885CYP2D6 2915/4885
US-20050261321-A1 Substituted organosulfur compounds and methods of using thereof TST, CTH, CBS CYP1A2 3924/4885CYP3A4 3786/4885CYP2D6 2915/4885

“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.