SCHEMBL1148587

SCHEMBL1148587

NS(=O)(=O)Nc1c[nH]nn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 0.37
CA2 P00918 18/20 0.37
CA4 P22748 9/20 0.37
CA5A P35218 9/20 0.37
CA5B Q9Y2D0 9/20 0.37
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
KIF11 P52732 1/20 0.32
SCN9A Q15858 1/20 0.30

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
SCHEMBL9959892 0.72 GAA (0.53)
SCHEMBL8385183 0.70
SCHEMBL4790981 0.69
SCHEMBL1122528 0.68 SCN9A (0.32) SCN9A
SCHEMBL1122530 0.68 SCN9A (0.32) SCN9A
Sulfuric Acid SCHEMBL29221910 0.67
SCHEMBL1303616 0.67
SCHEMBL29222072 0.66 CCNA2 (0.31)
SCHEMBL16785658 0.66
SCHEMBL3988597 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054059-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-05-06 EP claimed
WO-2008021364-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-02-21 WO claimed
EP-1817295-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2007-08-15 EP claimed
WO-2006055760-A9 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2006-09-21 WO claimed
WO-2006055760-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2006-05-26 WO claimed
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2019-05-16 US disclosed
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2017-11-09 US disclosed
US-20140141511-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2014-05-22 US disclosed
US-20130338155-A1 METHOD FOR TREATING INFECTIONS SYNTA PHARMACEUTICALS CORP. (US) 2013-12-19 US disclosed
US-20110046125-A1 METHOD FOR TREATING INFECTIONS SYNTA PHARMACEUTICALS CORP. (US) 2011-02-24 US disclosed
US-20100280032-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2010-11-04 US disclosed
US-20100249185-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP. 2010-09-30 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 (7 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-20130338155-A1 METHOD FOR TREATING INFECTIONS HSP90AB1, HSP90B1, HSP90AA1 CA1 2527/4885CA2 1267/4885CA4 1698/4885
US-20100280032-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 CA1 1638/4885CA2 1747/4885CA4 1050/4885
US-20140141511-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 CA1 1638/4885CA2 1747/4885CA4 1050/4885
US-20100249185-A1 METHOD FOR INHIBITING TOPOISOMERASE II TOP2A, TOP2B, TOP1 CA1 3134/4885CA2 1971/4885CA4 3720/4885
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 CA1 1638/4885CA2 1747/4885CA4 1050/4885
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 CA1 1638/4885CA2 1747/4885CA4 1050/4885
US-20110046125-A1 METHOD FOR TREATING INFECTIONS HSP90AB1, HSP90B1, HSP90AA1 CA1 3209/4885CA2 1876/4885CA4 2228/4885

“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.