SCHEMBL4270701

SCHEMBL4270701

COc1ccc(SSSc2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA9 Q16790 3/20 0.58
CA7 P43166 2/20 0.58
CA12 O43570 1/20 0.58
CA14 Q9ULX7 1/20 0.58
FBP1 P09467 1/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
ACHE P22303 1/20 0.48
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL11021872 0.95 CA1 (0.58) CA1CA2CA9CA7CA12
SCHEMBL438406 0.89 CA1 (0.65) CA1CA2CA9CA7CA12
SCHEMBL10948006 0.82 CA1 (0.55) CA1CA2CA9CA7CA12
SCHEMBL9018822 0.80 CA4 (0.59) CA1CA2CA9CA7CA12
SCHEMBL12708273 0.80 ACHE (0.71) CA1CA2CA9CA7CA12
SCHEMBL13610313 0.80 APP (0.53) CA1CA2CA9CA7CA12
SCHEMBL17052772 0.78 TDP1 (0.73) CA1CA2CA9CA7CA12
SCHEMBL26193671 0.78 LTA4H (0.64) CA1CA2CA9CA7CA12
SCHEMBL482369 0.78 CA1 (0.65) CA1CA2CA9CA7CA12
1,4-Dimethoxybenzene SCHEMBL21802643 0.76 CA1 (1.00) CA1CA2CA9CA7CA12

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 9 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-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-4340695-A Vulcanization system, rubber mixture containing said system and a process of vulcanization BAYER AKTIENGESELLSCHAFT (DE) 1982-07-20 US disclosed
US-4303765-A PEPTIZATION WITH AROMATIC POLYSULFIDE BAYER AKTIENGESELLSCHAFT (DE) 1981-12-01 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 CA1 1747/4885CA2 2875/4885CA9 2368/4885
US-20050261321-A1 Substituted organosulfur compounds and methods of using thereof TST, CTH, CBS CA1 1747/4885CA2 2875/4885CA9 2368/4885

“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.