SCHEMBL3202604

SCHEMBL3202604

O=C(OCC(COC(=O)C(S)c1ccccc1)(COC(=O)C(S)c1ccccc1)COC(=O)C(S)c1ccccc1)C(S)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
HIF1A Q16665 1/20 0.52
SRC P12931 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 1/20 0.40
MME P08473 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 1/20 0.37
EPHX1 P07099 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
LMNA P02545 2/20 0.36

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
SCHEMBL5337454 1.00 MAPK1 (0.52) MAPK1HIF1ASRCCYP2D6CYP1A2
SCHEMBL3215191 0.95 MAPK1 (0.47) MAPK1HIF1ASRCCYP2D6CYP1A2
SCHEMBL3215141 0.91 MAPK1 (0.43) MAPK1HIF1ASRCCYP2D6CYP1A2
SCHEMBL3208340 0.82 CHRM1 (0.47) SRCCYP2D6CYP1A2PKMSMN1; SMN2
SCHEMBL5341708 0.79 TDP1 (0.46) SRCCYP2D6CYP1A2PKMSMN1; SMN2
SCHEMBL2027598 0.79 MMP8 (0.56) SMN1; SMN2KMT2A
Feneritrol SCHEMBL2109958 0.79 LMNA (0.55) MAPK1HIF1APKMKMT2AL3MBTL1
SCHEMBL3212511 0.78 KDM4E (0.52) SRCCYP2D6CYP1A2PKMSMN1; SMN2
SCHEMBL27816525 0.78 ALDH1A1 (0.53) MAPK1KMT2AL3MBTL1EPHX1LMNA
SCHEMBL6231537 0.78 ALDH1A1 (0.48) MAPK1KMT2AMMEACE2ATM

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
US-20100029876-A1 POLYMERIZATION ACCELERATOR, CURABLE COMPOSITION, CURED PRODUCT, AND PROCESS FOR PRODUCING THIOL COMPOUND SHOWA DENKO K.K. (JP) 2010-02-04 US disclosed
EP-2030989-A1 POLYMERIZATION ACCELERATOR, CURABLE COMPOSITION, CURED PRODUCT AND METHOD FOR PRODUCING THIOL COMPOUND Showa Denko K.K. (JP) 2009-03-04 EP disclosed
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 (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-20050049307-A1 Organic thiol metal-free stabilizers and plasticizers for halogen-containing polymers TST, LANCL1, TTPA MAPK1 2739/4885HIF1A 3801/4885SRC 2137/4885
US-20100029876-A1 POLYMERIZATION ACCELERATOR, CURABLE COMPOSITION, CURED PRODUCT, AND PROCESS FOR PRODUCING THIOL COMPOUND TMT1A, CCNT1, MGMT MAPK1 2791/4885HIF1A 1524/4885SRC 2928/4885

“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.