SCHEMBL724291

SCHEMBL724291

O=C(O)C(=O)CCCSCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.62
ALDH1A1 P00352 6/20 0.49
HPGD P15428 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
GAA P10253 2/20 0.43
FAAH O00519 1/20 0.42

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
SCHEMBL722983 0.95 CYP2C19 (0.61) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL724648 0.89 CYP2C19 (0.72) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL5180190 0.85 CYP2C19 (0.79) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL7524420 0.83 CYP2C19 (0.59) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL7281490 0.82 CYP2C19 (0.62) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL713206 0.80 CYP2C19 (0.76) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL721637 0.79 CYP2C19 (0.57) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL1585162 0.79 CYP2C19 (0.73) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL3938443 0.79 CYP2C19 (0.73) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL9069764 0.78 CYP2C19 (0.57) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA

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 15 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
CN-102834375-B Process for producing sulfur-containing amino acid or salt thereof SUMITOMO CHEMICAL CORP 2014-09-03 CN 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
CN-103080082-A Process for preparing sulfur-containing 2-ketocarboxylate compound SUMITOMO CHEMICAL CO 2013-05-01 CN disclosed
CN-103068796-A Process for preparing sulfur-containing 2-ketocarboxylate compound SUMITOMO CHEMICAL CO 2013-04-24 CN 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
CN-102834375-A Process for producing sulfur-containing amino acid or salt thereof SUMITOMO CHEMICAL CORP 2012-12-19 CN 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 CYP2C19 813/4885ALDH1A1 544/4885HPGD 240/4885
US-20130137897-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND HPD, STS, HAO2 CYP2C19 266/4885ALDH1A1 444/4885HPGD 286/4885
US-20130012737-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACID OR SALT THEREOF CBS, ASS1, TST CYP2C19 667/4885ALDH1A1 1263/4885HPGD 880/4885

“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.