SCHEMBL7697212

SCHEMBL7697212

Cc1ccc(S(=O)(=O)OC/C=C/COS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.47
TLR9 Q9NR96 1/20 0.47
GAA P10253 2/20 0.46
CTSK P43235 1/20 0.44
STAT3 P40763 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 6/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA5B Q9Y2D0 1/20 0.43

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
SCHEMBL7694213 1.00 G6PD (0.47) G6PDTLR9GAACTSKSTAT3
SCHEMBL7694210 1.00 G6PD (0.47) G6PDTLR9GAACTSKSTAT3
SCHEMBL17735725 0.93 KMT2A (0.43) G6PDTLR9GAACTSKSTAT3
SCHEMBL4573464 0.91 G6PD (0.41) G6PDTLR9GAACTSKSTAT3
SCHEMBL1211008 0.91 G6PD (0.41) G6PDTLR9GAACTSKSTAT3
SCHEMBL8553253 0.91 CA1 (0.41) G6PDTLR9GAACTSKSTAT3
SCHEMBL4573458 0.91 G6PD (0.41) G6PDTLR9GAACTSKSTAT3
SCHEMBL7693741 0.91 G6PD (0.41) G6PDTLR9GAACTSKSTAT3
SCHEMBL1211011 0.91 G6PD (0.41) G6PDTLR9GAACTSKSTAT3
SCHEMBL6555452 0.91 G6PD (0.43) G6PDTLR9GAACTSKSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2537825-B1 METHOD FOR PRODUCING 1-AMINO-1-ALKOXYCARBONYL-2-VINYLCYCLOPROPANE API CORP (JP) 2016-09-14 EP disclosed
WO-2016073480-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARMACEUTICALS, INC. (US) 2016-05-12 WO disclosed
US-9061991-B2 Method for producing 1-amino-1-alkoxycarbonyl-2-vinylcyclopropane API CORPORATION (JP) 2015-06-23 US disclosed
US-20130096339-A1 METHOD FOR PRODUCING 1-AMINO-1-ALKOXYCARBONYL-2-VINYLCYCLOPROPANE API CORPORATION (JP) 2013-04-18 US disclosed
EP-2537825-A1 METHOD FOR PRODUCING 1-AMINO-1-ALKOXYCARBONYL-2-VINYLCYCLOPROPANE API Corporation (JP) 2012-12-26 EP disclosed
US-6344179-B1 BIND TO DOPAMINE TRANSPORTER WITH HIGH AFFINITY AND SELECTIVITY; USEFUL AS DIAGNOSTIC AND THERAPEUTIC AGENTS; CONTAINING RADIOACTIVE ISOMERS F18 OR 19; PET SCANNING EMORY UNIVERSITY 2002-02-05 US disclosed
WO-2000064490-A1 FLUOROALKENYL NORTROPANES EMORY UNIVERSITY (US) 2000-11-02 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 (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-20130096339-A1 METHOD FOR PRODUCING 1-AMINO-1-ALKOXYCARBONYL-2-VINYLCYCLOPROPANE HAVCR2, BCAT1, ALDH7A1 G6PD 1300/4885TLR9 2174/4885GAA 1608/4885

“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.