SCHEMBL10317271

SCHEMBL10317271

CC(C)OCCSCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MVD P53602 1/20 0.44
CYP2D6 P10635 2/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 2/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
BLM P54132 1/20 0.44
BHMT Q93088 1/20 0.40
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL5639474 0.76
SCHEMBL22807589 0.74
SCHEMBL8048722 0.72 MAPT (0.50) MVDCYP2D6HIF1AHSD17B10GMNN
SCHEMBL14473675 0.72 GMNN (0.46) MVDCYP2D6HIF1AHSD17B10GMNN
SCHEMBL1405521 0.71 BHMT (0.53) MVDCYP2D6HIF1AHSD17B10GMNN
SCHEMBL1313188 0.71 CYP2D6 (0.73) MVDCYP2D6HIF1AHSD17B10GMNN
SCHEMBL5636421 0.71 MVD (0.44) MVDCYP2D6HIF1AHSD17B10GMNN
SCHEMBL261295 0.70
SCHEMBL2203031 0.70
SCHEMBL12297338 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184613-A1 SULFUR-CONTAINING COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-19 US 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 (1 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-20120184613-A1 SULFUR-CONTAINING COMPOUND AND USE THEREOF C5, C1S, CYC1 MVD 4542/4885CYP2D6 1735/4885HIF1A 1241/4885

“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.