SCHEMBL2454580

SCHEMBL2454580

CCCSCCCCC(N)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 7/20 0.59
GSR P00390 1/20 0.52
BHMT2 Q9H2M3 1/20 0.51
NOS2 P35228 4/20 0.47
NOS1 P29475 4/20 0.47
NOS3 P29474 3/20 0.47
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
ARG2 P78540 4/20 0.47
ARG1 P05089 3/20 0.47
DDAH1 O94760 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL28251214 0.98 BHMT (0.60) BHMTGSRBHMT2NOS2NOS1
SCHEMBL1158177 0.94 BHMT (0.56) BHMTGSRBHMT2NOS2NOS1
SCHEMBL28251120 0.93 BHMT (0.59) BHMTGSRBHMT2NOS2NOS1
SCHEMBL28042282 0.91 BHMT (0.60) BHMTGSRBHMT2NOS2NOS1
SCHEMBL31710807 0.87 BHMT (0.56) BHMTGSRBHMT2NOS2NOS1
SCHEMBL2455928 0.87 BHMT (0.56) BHMTGSRBHMT2NOS2NOS1
SCHEMBL5285668 0.87 BHMT (0.56) BHMTGSRBHMT2NOS2NOS1
SCHEMBL474910 0.86 BHMT (0.67) BHMTBHMT2NOS2NOS1NOS3
SCHEMBL2119412 0.86 BHMT (0.67) BHMTBHMT2NOS2NOS1NOS3
SCHEMBL474911 0.86 BHMT (0.67) BHMTBHMT2NOS2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105130871-B A kind of sulfur derivatives and its preparation method and application of pyrrolin ketone 南京农业大学 2018-11-09 CN disclosed
EP-2550251-B1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACID OR SALT THEREOF SUMITOMO CHEMICAL CO (JP) 2015-04-29 EP disclosed
US-8779190-B2 Process for producing sulfur-containing amino acid or salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-15 US disclosed
EP-2550251-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACID OR SALT THEREOF Sumitomo Chemical Company, Limited (JP) 2013-01-30 EP disclosed
US-20130012737-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACID OR SALT THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-10 US disclosed
WO-2011118849-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACID OR SALT THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-29 WO 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-20130012737-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACID OR SALT THEREOF CBS, ASS1, TST BHMT 1148/4885GSR 2492/4885BHMT2 190/4885

“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.