SCHEMBL4266569

SCHEMBL4266569

O=[N+]([O-])c1ccc(CSSSCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
IDO1 P14902 4/20 0.58
LOXL2 Q9Y4K0 1/20 0.55
TSHR P16473 1/20 0.52
MAPT P10636 3/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
GFER P55789 1/20 0.49
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL3244320 0.91 CYP2C19 (0.63) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL7166059 0.84 CYP2C19 (0.56) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL1035377 0.83 CYP2C19 (0.81) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL11277119 0.81 CYP2C19 (0.53) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL7244787 0.81 CYP2C19 (0.79) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL8014656 0.79 CYP2C19 (0.59) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL513720 0.79 CYP2C19 (0.59) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL513721 0.79 CYP2C19 (0.59) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL28866767 0.79 IDO1 (0.62) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL7489100 0.78 CYP2C19 (0.58) CYP2C19CYP1A2CYP2C9IDO1LOXL2

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 13 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
US-6555712-B2 Reacting an organic halide and elemental sulfur (alpha -rhombic) using catalytic copper (II) halide and tin (II) halide in a mixture of organic solvents at 30-70 degrees C INDIAN INSTITUTE OF TECHNOLOGY (IN) 2003-04-29 US disclosed
US-20020198410-A1 Process for the preparation of diorganotrisulfide INDIAN INSTITUTE OF TECHNOLOGY 2002-12-26 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 (3 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 CYP2C19 4138/4885CYP1A2 3924/4885CYP2C9 3824/4885
US-20020198410-A1 Process for the preparation of diorganotrisulfide TYR, DOHH, DECR1 CYP2C19 1710/4885CYP1A2 876/4885CYP2C9 1803/4885
US-20050261321-A1 Substituted organosulfur compounds and methods of using thereof TST, CTH, CBS CYP2C19 4138/4885CYP1A2 3924/4885CYP2C9 3824/4885

“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.