SCHEMBL448972

SCHEMBL448972

CN(NC(=O)CS(=O)(=O)NN(C)C(=S)C1CC1)C(=S)c1cncs1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL447775 0.96 ALDH1A1 (0.31) HSP90AA1HSP90AB1ALDH1A1GAAWNT1
SCHEMBL446122 0.81 HSP90AA1 (0.31) HSP90AA1HSP90AB1
SCHEMBL448046 0.81 HSP90AA1 (0.56) HSP90AA1HSP90AB1ALDH1A1GAA
SCHEMBL447121 0.80
SCHEMBL448071 0.77
SCHEMBL451087 0.77 HSP90AA1 (0.34) HSP90AA1HSP90AB1
SCHEMBL448191 0.76 HSP90AA1 (0.53) HSP90AA1HSP90AB1ALDH1A1GAA
SCHEMBL446415 0.76 KMT2A (0.32)
SCHEMBL448488 0.75 P2RX7 (0.38)
SCHEMBL448855 0.73

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
US-8680100-B2 Sulfonylhydrazide compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-03-25 US disclosed
US-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-03-15 US disclosed
EP-2370402-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS Synta Pharmaceuticals Corp. (US) 2011-10-05 EP disclosed
WO-2010065512-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2010-06-10 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-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS PKD1, PKD2, PCNA HSP90AA1 2300/4885HSP90AB1 1711/4885ALDH1A1 1351/4885

“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.