SCHEMBL4261122

SCHEMBL4261122

CC(SSSC(C)c1ccncc1)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP19A1 P11511 3/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DDAH1 O94760 1/20 0.35
NOS1 P29475 1/20 0.35
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
CYP17A1 P05093 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PABPC1 P11940 1/20 0.32
APOBEC3A P31941 1/20 0.32
EIF4H Q15056 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL9129258 0.78 CYP3A4 (0.44) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL18812091 0.76 CYP3A4 (0.43) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL4266708 0.75 KMT2A (0.42) CYP3A4CYP2C19SLC6A4SLC6A3KMT2A
SCHEMBL33167 0.71
SCHEMBL724559 0.71 CYP3A4 (0.52) CYP3A4CYP2C19GAASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL28532113 0.69 CYP3A4 (0.50) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL27723381 0.69 CYP3A4 (0.50) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL29452917 0.69 CYP3A4 (0.50) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL27359967 0.69 CYP3A4 (0.50) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL21325964 0.69 CYP3A4 (0.36) CYP3A4CYP2C19GAASLC6A2SLC6A4

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 CYP3A4 3786/4885CYP2C19 4138/4885GAA 2926/4885
US-20050261321-A1 Substituted organosulfur compounds and methods of using thereof TST, CTH, CBS CYP3A4 3786/4885CYP2C19 4138/4885GAA 2926/4885

“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.