SCHEMBL974920

SCHEMBL974920

COC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
CXCR2 P25025 2/20 0.43
CFTR P13569 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F11 P03951 1/20 0.40
EPAS1 Q99814 1/20 0.40
CXCR1 P25024 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
STS P08842 1/20 0.39
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL294877 0.94 KDM4E (0.44) HSD11B1CXCR2CFTRKDM4EHSD17B10
SCHEMBL3187945 0.93 KMT2A (0.45) HSD11B1CXCR2CFTRL3MBTL1KDM4E
SCHEMBL7530260 0.91 ALDH1A1 (0.46) HSD11B1CXCR2CFTRFFAR4L3MBTL1
SCHEMBL5569165 0.88 HSD11B1 (0.47) HSD11B1CXCR2CFTREPAS1CXCR1
SCHEMBL4634289 0.87 FFAR4 (0.52) CFTRFFAR4L3MBTL1EPAS1KDM4E
SCHEMBL26619763 0.87 CA12 (0.51) CXCR2CFTRFFAR4L3MBTL1EPAS1
SCHEMBL6643810 0.87 HSP90AA1 (0.43) CXCR2CFTRFFAR4L3MBTL1EPAS1
SCHEMBL16513114 0.86 HSD11B1 (0.50) HSD11B1CXCR2CFTRL3MBTL1EPAS1
SCHEMBL16750947 0.86 CFTR (0.57) CFTRL3MBTL1KDM4EHSD17B10SDHB
SCHEMBL16593084 0.86 L3MBTL1 (0.42) CFTRFFAR4L3MBTL1EPAS1KDM4E

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
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 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 (2 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HSD11B1 183/4885CXCR2 1735/4885CFTR 2101/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HSD11B1 183/4885CXCR2 1735/4885CFTR 2101/4885

“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.