SCHEMBL669568

SCHEMBL669568

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
GAA P10253 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 2/20 0.39
ESR1 P03372 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
NR4A1 P22736 1/20 0.38
FHIT P49789 1/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37

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
SCHEMBL11635514 0.92 ALDH1A1 (0.39) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL669565 0.90 GAA (0.45) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL11632785 0.81 GAA (0.43) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL11634990 0.78 ALDH1A1 (0.39) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL1850132 0.74 KDM4E (0.47) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL8440916 0.74 MAPK1 (0.47) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL11634168 0.74 MAPT (0.34) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL11632117 0.74 MAPT (0.38) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL11633572 0.73 NPSR1 (0.38) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL11636776 0.73 TSHR (0.38) ALDH1A1HPGDGAAMAPTSMN1; 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 3 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
US-4109006-A 1,4-DITHIINOXIDES WARREN-TEED LABORATORIES, INC. (US) 1978-08-22 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 (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 ALDH1A1 1163/4885HPGD 20/4885GAA 2499/4885

“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.