SCHEMBL723068

SCHEMBL723068

O=C(O)C(O)CCSCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.58
HPGD P15428 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 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
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
KMT2A Q03164 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
SCHEMBL723383 0.90 CYP2C19 (0.54) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL723047 0.88 CYP2C19 (0.53) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL3347791 0.87 CYP2C19 (0.51) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL5846128 0.81 CYP2C19 (0.52) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL2162954 0.81 CYP2C19 (0.52) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL723034 0.81 CYP2C19 (0.52) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL2829691 0.81 CYP2C19 (0.61) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL2829688 0.81 CYP2C19 (0.61) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL341585 0.81 CYP2C19 (0.61) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL3936974 0.79 CYP2C19 (0.59) CYP2C19HPGDALDH1A1SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822706-B2 Method for preparing 2-hydroxybutyrolactone ADISSEO FRANCE S.A.S. (FR) 2014-09-02 US disclosed
US-20130204016-A1 METHOD FOR PREPARING 2-HYDROXYBUTYROLACTONE ADISSEO FRANCE S.A.S. (FR) 2013-08-08 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
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
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

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 813/4885HPGD 240/4885ALDH1A1 544/4885
US-20130204016-A1 METHOD FOR PREPARING 2-HYDROXYBUTYROLACTONE OXSR1, CBR3, OXER1 CYP2C19 2161/4885HPGD 3021/4885ALDH1A1 2055/4885
US-20130137897-A1 PROCESS FOR PREPARING SULFUR-CONTAINING 2-KETOCARBOXYLATE COMPOUND HPD, STS, HAO2 CYP2C19 266/4885HPGD 286/4885ALDH1A1 444/4885

“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.