SCHEMBL720525

SCHEMBL720525

CSCCCC(=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.44
OR51E2 Q9H255 2/20 0.42
MAPK1 P28482 1/20 0.42
SLC13A3 Q8WWT9 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
TSHR P16473 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
CES1 P23141 6/20 0.36
CES2 O00748 5/20 0.36
ALDH1A1 P00352 2/20 0.34
HAO1 Q9UJM8 1/20 0.34

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
SCHEMBL723055 0.93 FOLH1 (0.42) FOLH1OR51E2MAPK1SLC13A3EGLN1
SCHEMBL20855304 0.91 FOLH1 (0.41) FOLH1OR51E2MAPK1SLC13A3EGLN1
SCHEMBL31429799 0.91 FOLH1 (0.41) FOLH1OR51E2MAPK1SLC13A3EGLN1
SCHEMBL6300371 0.91 FOLH1 (0.41) FOLH1OR51E2MAPK1SLC13A3EGLN1
SCHEMBL126896 0.84
SCHEMBL14777048 0.82 OR51E2 (0.43) FOLH1OR51E2MAPK1SLC13A3EGLN1
SCHEMBL14776551 0.82 OR51E2 (0.43) FOLH1OR51E2MAPK1SLC13A3EGLN1
SCHEMBL9936985 0.82 TSHR (0.52) FOLH1OR51E2MAPK1SLC13A3EGLN1
Ethylene SCHEMBL3446821 0.80 OR51E2 (0.42) FOLH1OR51E2MAPK1SLC13A3EGLN1
SCHEMBL154914 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096863-B2 Biosynthetic engineering of glucosinolates University of Denmark (DK) 2015-08-04 US disclosed
US-9096863-B2 Biosynthetic engineering of glucosinolates University of Denmark (DK) 2015-08-04 US 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-2609076-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND Sumitomo Chemical Co., Ltd (JP) 2013-07-03 EP disclosed
EP-2609077-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND Sumitomo Chemical Company Limited (JP) 2013-07-03 EP disclosed
US-20130137896-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-30 US disclosed
US-20130137897-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-30 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-2012081712-A1 PROCESS FOR THE PREPARATION OF HYDROXYCARBOXYLIC ACID COMPOUND OR SALT THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-21 WO disclosed
WO-2012026620-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 WO disclosed
WO-2012026619-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 WO disclosed
WO-2011118849-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACID OR SALT THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-29 WO disclosed
US-20110016582-A1 Biosynthetic Engineering of Glucosinolates UNIVERSITY OF COPENHAGEN (DK) 2011-01-20 US disclosed
US-6977297-B1 Methods and means for modification of glucosinolates in plants PLANT BIOSCIENCE LIMITED (GB) 2005-12-20 US disclosed
WO-2003012088-A2 NUCLEIC ACID MOLECULES ENCODING A GLUCOSINOLATE SULFATASE MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSCNSCHAFTEN E.V. (DE) 2003-02-13 WO disclosed
EP-1032691-A1 METHODS AND MEANS FOR MODIFICATION OF GLUCOSINOLATES IN PLANTS Plant Bioscience Limited (GB) 2000-09-06 EP disclosed
WO-1999027120-A1 METHODS AND MEANS FOR MODIFICATION OF GLUCOSINOLATES IN PLANTS PLANT BIOSCIENCE LIMITED (GB) 1999-06-03 WO disclosed
EP-0543245-A1 Renin inhibiting amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-05-26 EP 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-20130137896-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND HPD, STS, HACL2 FOLH1 1683/4885OR51E2 1491/4885MAPK1 3231/4885
US-20130137897-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND HPD, STS, HAO2 FOLH1 2035/4885OR51E2 815/4885MAPK1 3482/4885
US-20130012737-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACID OR SALT THEREOF CBS, ASS1, TST FOLH1 3385/4885OR51E2 3742/4885MAPK1 335/4885

“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.