SCHEMBL722430

SCHEMBL722430

CCSCCCC(=O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
CES1 P23141 7/20 0.39
CES2 O00748 6/20 0.39
MAPK1 P28482 1/20 0.39
SLC13A3 Q8WWT9 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
OR51E2 Q9H255 1/20 0.39
HSD17B10 Q99714 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
BLM P54132 1/20 0.38
PTGS1 P23219 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL722984 0.93 TSHR (0.59) TSHRCES1CES2MAPK1SLC13A3
SCHEMBL9936985 0.86 TSHR (0.52) TSHRCES1CES2MAPK1SLC13A3
SCHEMBL722524 0.86 TSHR (0.54) TSHRCES1CES2MAPK1SLC13A3
SCHEMBL724257 0.84 TSHR (0.48) TSHRCES1CES2MAPK1SLC13A3
SCHEMBL6243134 0.81
SCHEMBL2523047 0.78 TSHR (0.63) TSHRCES2HSD17B10GMNNTP53
SCHEMBL9938112 0.78 TSHR (0.47) TSHRCES1CES2MAPK1SLC13A3
SCHEMBL2452970 0.78 CES2 (0.44) TSHRCES1CES2HSD17B10GMNN
SCHEMBL720525 0.76 FOLH1 (0.44) TSHRCES1CES2MAPK1SLC13A3
SCHEMBL9883960 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130137897-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-30 US disclosed
US-20130137896-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

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 TSHR 4428/4885CES1 371/4885CES2 883/4885
US-20130137897-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND HPD, STS, HAO2 TSHR 4553/4885CES1 529/4885CES2 748/4885
US-20130012737-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACID OR SALT THEREOF CBS, ASS1, TST TSHR 2658/4885CES1 3364/4885CES2 2997/4885

“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.