SCHEMBL5341827

SCHEMBL5341827

O=C(Cc1cccc(S)c1)OCC(COC(=O)Cc1cccc(S)c1)(COC(=O)Cc1cccc(S)c1)COC(=O)Cc1cccc(S)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PAM P19021 1/20 0.41
HTT P42858 2/20 0.39
HIF1A Q16665 1/20 0.39
POLB P06746 1/20 0.38
YWHAG P61981 1/20 0.36
SLC7A5 Q01650 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL670636 0.82 L3MBTL1 (0.45) ALDH1A1MAPK1L3MBTL1PAMHTT
SCHEMBL6335041 0.82 YWHAG (0.44) ALDH1A1MAPK1L3MBTL1PAMHTT
SCHEMBL14337072 0.81 YWHAG (0.46) ALDH1A1MAPK1L3MBTL1PAMHTT
SCHEMBL6235811 0.80 MAPK1 (0.43) ALDH1A1MAPK1L3MBTL1PAMHIF1A
SCHEMBL2767776 0.78 SLC7A5 (0.55) ALDH1A1SLC7A5SMN1; SMN2
SCHEMBL40418 0.73 AKR1B1 (0.58) ALDH1A1HTTHIF1APOLBTDP1
SCHEMBL5341838 0.72 AKR1B1 (0.47) ALDH1A1HTTHIF1APOLBTDP1
SCHEMBL8986802 0.72 ALDH1A1 (0.39) ALDH1A1POLBSLC7A5
SCHEMBL10906219 0.70 PTPN1 (0.49) ALDH1A1MAPK1L3MBTL1PAMHIF1A
Ethylene Glycol SCHEMBL6232155 0.69 AKR1B1 (0.52) ALDH1A1HTTHIF1APOLBTDP1

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-6927247-B2 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers THE COLLEGE OF WILLIAM AND MARY (US) 2005-08-09 US claimed
EP-1521803-A2 ORGANIC THIOL METAL-FREE STABILIZERS AND PLASTICIZERS FOR HALOGEN-CONTAINING POLYMERS The College of William and Mary (US) 2005-04-13 EP claimed
WO-2003106550-A2 ORGANIC THIOL METAL-FREE STABILIZERS AND PLASTICIZERS FOR HALOGEN-CONTAINING POLYMERS THE COLLEGE OF WILLIAM AND MARY (US) 2003-12-24 WO claimed
US-20030220429-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers COLLEGE OF WILLIAM AND MARY, THE 2003-11-27 US claimed
US-7312266-B2 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers THE COLLEGE OF WILLIAM AND MARY (US) 2007-12-25 US disclosed
US-6927247-B2 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers THE COLLEGE OF WILLIAM AND MARY (US) 2005-08-09 US disclosed
EP-1521803-A2 ORGANIC THIOL METAL-FREE STABILIZERS AND PLASTICIZERS FOR HALOGEN-CONTAINING POLYMERS The College of William and Mary (US) 2005-04-13 EP disclosed
US-20050049307-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers COLLEGE OF WILLIAM AND MARY, THE 2005-03-03 US disclosed
WO-2003106550-A2 ORGANIC THIOL METAL-FREE STABILIZERS AND PLASTICIZERS FOR HALOGEN-CONTAINING POLYMERS THE COLLEGE OF WILLIAM AND MARY (US) 2003-12-24 WO disclosed
US-20030220429-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers COLLEGE OF WILLIAM AND MARY, THE 2003-11-27 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-20050049307-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers TST, LANCL1, TTPA ALDH1A1 203/4885MAPK1 2739/4885L3MBTL1 85/4885

“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.