SCHEMBL13610425

SCHEMBL13610425

C(=C/c1ccccc1)\CSSSc1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.43
ADRA2C P18825 1/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
RAB9A P51151 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 4/20 0.40
ELANE P08246 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
TSHR P16473 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4265198 0.73 RAB9A (0.52) RAB9AL3MBTL1NPC1TDP1
SCHEMBL4188069 0.73 DDAH1 (0.59) DDAH1ADRA2CKMT2AMEN1RAB9A
SCHEMBL11824208 0.72 DDAH1 (0.60) DDAH1ADRA2CKMT2AMEN1RAB9A
SCHEMBL1054682 0.72 DDAH1 (0.49) DDAH1ADRA2CKMT2AMEN1RAB9A
SCHEMBL28808030 0.70 HPGD (0.55) DDAH1ADRA2CKMT2AMEN1RAB9A
SCHEMBL13610420 0.70 L3MBTL1 (0.55) KMT2ARAB9AL3MBTL1HPGDNPC1
SCHEMBL13610486 0.69 DDAH1 (0.43) DDAH1ADRA2CKMT2AMEN1RAB9A
SCHEMBL13610364 0.69 HPGD (0.48) DDAH1ADRA2CKMT2AMEN1RAB9A
SCHEMBL387863 0.69 RAB9A (0.55) RAB9AL3MBTL1NPC1TDP1
SCHEMBL387862 0.69 RAB9A (0.55) RAB9AL3MBTL1NPC1TDP1

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 7 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-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-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
US-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES, INC. (US) 2009-07-30 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 (1 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 DDAH1 608/4885ADRA2C 4689/4885KMT2A 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.