SCHEMBL669565

SCHEMBL669565

CCOC(=O)C1=C(C(=O)OCC)SCCS1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.43
FHIT P49789 1/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MAPK1 P28482 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
SCHEMBL669568 0.90 ALDH1A1 (0.41) GAAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL11632785 0.86 GAA (0.43) GAAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL11634990 0.83 ALDH1A1 (0.39) GAAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL11635514 0.82 ALDH1A1 (0.39) GAAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8440916 0.79 MAPK1 (0.47) GAAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL11632117 0.79 MAPT (0.38) GAAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL11634168 0.79 MAPT (0.34) GAAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL11633572 0.78 NPSR1 (0.38) GAAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL11636776 0.78 TSHR (0.38) GAAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL26601814 0.78 ALDH1A1 (0.43) GAAALDH1A1MAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142676-A1 Oxathiazine and dithiine oxides as inhibitors of sulfhydryl-dependent biomolecules CHEE GAIK-LEAN (CA) 2012-06-07 US disclosed
WO-2012024083-A1 OXATHIAZINE AND DITHIINE OXIDES AS INHIBITORS OF SULFHYDRYL-DEPENDENT BIOMOLECULES CHEMTURA CORPORATION (US) 2012-02-23 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-20120142676-A1 Oxathiazine and dithiine oxides as inhibitors of sulfhydryl-dependent biomolecules HPGDS, SHMT1, QSOX1 GAA 2499/4885ALDH1A1 1163/4885MAPT 3739/4885

“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.