SCHEMBL259735

SCHEMBL259735

Cc1ccc(S(=O)(=O)OCP(=O)(OOC(C)C)OOC(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.36
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
CA9 Q16790 5/20 0.35
CA12 O43570 4/20 0.35
MMP2 P08253 2/20 0.35
CA14 Q9ULX7 1/20 0.35
GBA1 P04062 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA2 P00918 3/20 0.34
VDR P11473 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
CA1 P00915 3/20 0.33

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
SCHEMBL259736 0.85 STAT3 (0.38) STAT3ALDH1A1GAACA9CA12
SCHEMBL8871679 0.80 STAT3 (0.43) STAT3ALDH1A1GAACA9CA12
SCHEMBL139911 0.77 CA12 (0.41) STAT3ALDH1A1GAACA9CA12
SCHEMBL8622516 0.77 MMP2 (0.41) STAT3ALDH1A1GAACA9CA12
SCHEMBL23703227 0.76 GAA (0.43) STAT3ALDH1A1GAACA9CA12
SCHEMBL22262072 0.75 STAT3 (0.34) STAT3ALDH1A1GAACA9CA12
SCHEMBL22262073 0.75 STAT3 (0.34) STAT3ALDH1A1GAACA9CA12
SCHEMBL140173 0.74 GAA (0.42) STAT3ALDH1A1GAACA9CA12
SCHEMBL140930 0.74 MMP2 (0.47) STAT3ALDH1A1GAACA9CA12
SCHEMBL8764595 0.74 KMT2A (0.32) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8133870-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2012-03-13 US disclosed
US-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-12-04 US disclosed
US-7429571-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-7388002-B2 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2008-06-17 US disclosed
EP-1814561-A2 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES Biocryst Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines WILMINGTON TRUST, NATIONAL ASSOCIATION 2006-07-27 US disclosed
US-20060122391-A1 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
WO-2006050161-A2 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES BIOCRYST PHARMACEUTICALS, INC. (US) 2006-05-11 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 (4 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-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines DPYD, TYMP, TYMS STAT3 4199/4885ALDH1A1 685/4885GAA 1677/4885
US-20060122391-A1 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases POLR2H, NSUN2, POLR2E STAT3 2322/4885ALDH1A1 3984/4885GAA 2605/4885
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines DPYD, TYMP, TYMS STAT3 4199/4885ALDH1A1 685/4885GAA 1677/4885
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES DPYD, TYMP, TYMS STAT3 4199/4885ALDH1A1 685/4885GAA 1677/4885

“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.