SCHEMBL1088261

SCHEMBL1088261

O=C(OC[C@@H]1OCCS1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA5 P30532 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
NPC1 O15118 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PPM1B O75688 1/20 0.42
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 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
SCHEMBL1087819 1.00 TDP1 (0.45) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL1087816 1.00 TDP1 (0.45) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3678045 0.93 CHRNB2 (0.45) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL14432884 0.82 HPGD (0.32) TDP1ALDH1A1
SCHEMBL172378 0.79 TDP1 (0.52) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL8469278 0.78 TDP1 (0.50) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL6952552 0.77 PPM1B (0.43) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL9529692 0.77 PPM1B (0.43) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL5422070 0.77 PPM1B (0.43) TDP1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL5422076 0.77 PPM1B (0.43) TDP1CHRNB2CHRNA5CHRNA7CHRNA4

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190839-B1 A PROCESS FOR CHIRAL RESOLUTION OF 2-SUBSTITUTED 4-SUBSTITUTED 1,3-OXATHIOLANES AVEXA LTD (AU) 2015-04-15 EP disclosed
EP-2190839-B1 A PROCESS FOR CHIRAL RESOLUTION OF 2-SUBSTITUTED 4-SUBSTITUTED 1,3-OXATHIOLANES AVEXA LTD (AU) 2015-04-15 EP disclosed
US-8354546-B2 Process for manufacture of optically active 2-(acyloxymethyl)-1,3-oxathiolanes Vertichem Corporation (CA) 2013-01-15 US disclosed
US-8354546-B2 Process for manufacture of optically active 2-(acyloxymethyl)-1,3-oxathiolanes Vertichem Corporation (CA) 2013-01-15 US disclosed
US-8354546-B2 Process for manufacture of optically active 2-(acyloxymethyl)-1,3-oxathiolanes Vertichem Corporation (CA) 2013-01-15 US disclosed
US-8318934-B2 Process for chiral resolution of 2-substituted 4-substituted 1,3-oxathiolanes AVEXA LIMITED (AU) 2012-11-27 US disclosed
US-8318934-B2 Process for chiral resolution of 2-substituted 4-substituted 1,3-oxathiolanes AVEXA LIMITED (AU) 2012-11-27 US disclosed
US-8318934-B2 Process for chiral resolution of 2-substituted 4-substituted 1,3-oxathiolanes AVEXA LIMITED (AU) 2012-11-27 US disclosed
US-20120157693-A1 Process for Manufacture of Optically Active 2-(Acyloxymethyl)-1,3-Oxathiolanes THESIS CHEMISTRY, LLC (US) 2012-06-21 US disclosed
US-20120157693-A1 Process for Manufacture of Optically Active 2-(Acyloxymethyl)-1,3-Oxathiolanes THESIS CHEMISTRY, LLC (US) 2012-06-21 US disclosed
US-20100305321-A1 PROCESS FOR CHIRAL RESOLUTION OF 2-SUBSTITUTED 4-SUBSTITUTED 1,3-OXATHIOLANES AVEXA LIMITED (AU) 2010-12-02 US disclosed
WO-2010068756-A3 PROCESS FOR MANUFACTURE OF OPTICALLY ACTIVE 2-(ACYLOXYMETHYL)-1, 3 OXATHIOLANES THESIS CHEMISTRY, LLC (US) 2010-10-14 WO disclosed
WO-2010068756-A2 PROCESS FOR MANUFACTURE OF OPTICALLY ACTIVE 2-(ACYLOXYMETHYL)-1, 3 OXATHIOLANES THESIS CHEMISTRY, LLC (US) 2010-06-17 WO disclosed
WO-2010068756-A2 PROCESS FOR MANUFACTURE OF OPTICALLY ACTIVE 2-(ACYLOXYMETHYL)-1, 3 OXATHIOLANES THESIS CHEMISTRY, LLC (US) 2010-06-17 WO disclosed
US-20100143978-A1 Process for Manufacture of Optically Active 2-(Acyloxymethyl)-1,3-Oxathiolanes THESIS CHEMISTRY, LLC (US) 2010-06-10 US disclosed
US-20100143978-A1 Process for Manufacture of Optically Active 2-(Acyloxymethyl)-1,3-Oxathiolanes THESIS CHEMISTRY, LLC (US) 2010-06-10 US disclosed
US-20100143978-A1 Process for Manufacture of Optically Active 2-(Acyloxymethyl)-1,3-Oxathiolanes THESIS CHEMISTRY, LLC (US) 2010-06-10 US disclosed
EP-2190839-A1 A PROCESS FOR CHIRAL RESOLUTION OF 2-SUBSTITUTED 4-SUBSTITUTED 1,3-OXATHIOLANES Avexa Limited (AU) 2010-06-02 EP disclosed
WO-2009039582-A1 A PROCESS FOR CHIRAL RESOLUTION OF 2-SUBSTITUTED 4-SUBSTITUTED 1,3-OXATHIOLANES AVEXA LIMITED (AU) 2009-04-02 WO disclosed
WO-2009039582-A1 A PROCESS FOR CHIRAL RESOLUTION OF 2-SUBSTITUTED 4-SUBSTITUTED 1,3-OXATHIOLANES AVEXA LIMITED (AU) 2009-04-02 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 (3 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-20120157693-A1 Process for Manufacture of Optically Active 2-(Acyloxymethyl)-1,3-Oxathiolanes APRT, TYMP, PNP TDP1 755/4885CHRNB2 4509/4885CHRNA5 3891/4885
US-20100305321-A1 PROCESS FOR CHIRAL RESOLUTION OF 2-SUBSTITUTED 4-SUBSTITUTED 1,3-OXATHIOLANES DHPS, ICMT, ORC3 TDP1 1225/4885CHRNB2 2665/4885CHRNA5 3294/4885
US-20100143978-A1 Process for Manufacture of Optically Active 2-(Acyloxymethyl)-1,3-Oxathiolanes APRT, TYMP, PNP TDP1 755/4885CHRNB2 4509/4885CHRNA5 3891/4885

“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.