SCHEMBL360697

SCHEMBL360697

[C]#CS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
TLR9 Q9NR96 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45

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
SCHEMBL28577615 0.80 GAA (0.59) GAACA1CA2CA12CA9
SCHEMBL6585722 0.78 GAA (0.56) GAACA1CA2CA12CA9
SCHEMBL118977 0.76 GAA (0.54) GAACA1CA2CA12CA9
SCHEMBL1721592 0.76 GAA (0.54) GAACA1CA2CA12CA9
SCHEMBL13783355 0.74 GAA (0.52) GAACA1CA2CA12CA9
SCHEMBL27524270 0.73 CA1 (0.52) GAACA1CA2CA12CA9
SCHEMBL6547519 0.73 GAA (0.50) GAACA1CA2CA12CA9
SCHEMBL2493552 0.73 GAA (0.50) GAACA1CA2CA12CA9
SCHEMBL2499107 0.71 GAA (0.48) GAACA1CA2CA12CA9
SCHEMBL170033 0.71 GAA (1.00) GAACA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528755-B Gold complex, method for producing same, and organic ultraviolet electroluminescent element using same UBE INDUSTRIES 2012-07-04 CN disclosed
EP-2415746-A1 LIGHT-EMITTING ELEMENT MATERIAL PRECURSOR BODY AND PRODUCTION METHOD THEREFOR Toray Industries, Inc. (JP) 2012-02-08 EP disclosed
US-20120012833-A1 LIGHT-EMITTING ELEMENT MATERIAL PRECURSOR AND PRODUCTION METHOD THEREFOR TORAY INDUSTRIES, INC. (JP) 2012-01-19 US disclosed
CN-101528755-A Gold complex, method for producing same, and organic ultraviolet electroluminescent element using same UBE INDUSTRIES (JP) 2009-09-09 CN 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-20120012833-A1 LIGHT-EMITTING ELEMENT MATERIAL PRECURSOR AND PRODUCTION METHOD THEREFOR AHR, ARNT, CRY1 GAA 3836/4885CA1 4067/4885CA2 4373/4885

“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.