SCHEMBL5341838

SCHEMBL5341838

O=C(O)Cc1cccc(S)c1.O=C(O)Cc1cccc(S)c1.O=C(O)Cc1cccc(S)c1.O=C(O)Cc1cccc(S)c1.OCC(CO)(CO)CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
RGS12 O14924 1/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
GNAI1 P63096 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL40418 0.89 AKR1B1 (0.58) AKR1B1CYP1A2CYP2C19LMNAGAA
Ethylene Glycol SCHEMBL6232155 0.88 AKR1B1 (0.52) AKR1B1CYP1A2CYP2C19LMNAGAA
Ethylene Glycol SCHEMBL6229361 0.88 AKR1B1 (0.52) AKR1B1CYP1A2CYP2C19LMNAGAA
1,3-Propanediol SCHEMBL6335045 0.85 AKR1B1 (0.48) AKR1B1CYP1A2CYP2C19LMNAGAA
Phenylacetic Acid SCHEMBL18139273 0.80 AKR1B1 (0.74) AKR1B1LMNAGAATSHRPOLB
SCHEMBL6235820 0.79 CA2 (0.50) AKR1B1LMNAGAATSHRKDM4E
SCHEMBL70565 0.75 AKR1B1 (0.71) AKR1B1CYP1A2CYP2C19LMNAGAA
Hydrochloric Acid SCHEMBL8922940 0.73 AKR1B1 (0.68) AKR1B1CYP1A2CYP2C19LMNAGAA
SCHEMBL14704483 0.73 AKR1B1 (0.56) AKR1B1CYP1A2CYP2C19LMNAGAA
SCHEMBL8986802 0.73 ALDH1A1 (0.39) AKR1B1CYP1A2CYP2C19POLBALDH1A1

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 AKR1B1 2084/4885CYP1A2 3114/4885CYP2C19 2460/4885

“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.