SCHEMBL724252

SCHEMBL724252

CC(C)(C)SCC(=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 2/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC13A3 Q8WWT9 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2223767 0.78
SCHEMBL9188246 0.75 TET2 (0.45) NPC1RAB9A
SCHEMBL2933753 0.75 HTR1A (0.32) NPC1RAB9ASMN1; SMN2
SCHEMBL3461929 0.72
SCHEMBL7303460 0.72 TSHR (0.43) MAPK1SMN1; SMN2ALDH1A1TSHR
SCHEMBL20173442 0.70
SCHEMBL3085260 0.70
SCHEMBL11438338 0.70 PTGES (0.35) RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10952646 0.70
SCHEMBL3462568 0.70 METAP2 (0.39) EGLN1SMN1; SMN2ALDH1A1TSHR

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-2609077-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND Sumitomo Chemical Company Limited (JP) 2013-07-03 EP disclosed
EP-2609076-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND Sumitomo Chemical Co., Ltd (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

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 OR51E2 1491/4885NPC1 4780/4885RAB9A 4532/4885
US-20130137897-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND HPD, STS, HAO2 OR51E2 815/4885NPC1 4710/4885RAB9A 4286/4885
US-20130012737-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACID OR SALT THEREOF CBS, ASS1, TST OR51E2 3742/4885NPC1 3684/4885RAB9A 3947/4885

“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.