SCHEMBL723047

SCHEMBL723047

O=C(O)C(O)CCCCSCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.53
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
HTT P42858 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40

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
SCHEMBL3347791 0.98 CYP2C19 (0.51) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL723383 0.95 CYP2C19 (0.54) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL723068 0.88 CYP2C19 (0.58) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL2452642 0.83 CYP2C19 (0.56) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4084668 0.81 CYP2C19 (0.54) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6306047 0.78 CYP2C19 (0.59) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL3170929 0.78 TRPA1 (0.57) SMN1; SMN2FAAH
SCHEMBL5846128 0.78 CYP2C19 (0.52) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL723034 0.78 CYP2C19 (0.52) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL2162954 0.78 CYP2C19 (0.52) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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

“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.