SCHEMBL446533

SCHEMBL446533

CN(NC(=O)CS(=O)(=O)NNC(=S)c1ccccc1)C(=S)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.62
HSP90AB1 P08238 1/20 0.62
ALDH1A1 P00352 4/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 3/20 0.35
HPGD P15428 3/20 0.35
KAT6A Q92794 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
BCAT1 P54687 1/20 0.33
HSD11B1 P28845 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL464655 0.84 HSP90AA1 (0.68) HSP90AA1HSP90AB1ALDH1A1MAPTGAA
SCHEMBL445761 0.81 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALDH1A1MAPTGAA
SCHEMBL446362 0.81 HSP90AA1 (0.63) HSP90AA1HSP90AB1ALDH1A1MAPTHPGD
SCHEMBL14301339 0.80 HSP90AA1 (0.80) HSP90AA1HSP90AB1ALDH1A1MAPTGAA
SCHEMBL464711 0.80 HSP90AA1 (0.70) HSP90AA1HSP90AB1ALDH1A1MAPTGAA
SCHEMBL446749 0.78 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALDH1A1MAPTGAA
SCHEMBL445596 0.78 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALDH1A1MAPTGAA
Elesclomol SCHEMBL313745 0.78 HSP90AA1 (1.00) HSP90AA1HSP90AB1ALDH1A1MAPTGAA
SCHEMBL445766 0.77 HSP90AA1 (0.58) HSP90AA1HSP90AB1ALDH1A1MAPTHPGD
SCHEMBL449259 0.77 HSP90AA1 (0.54) HSP90AA1HSP90AB1ALDH1A1GAAHPGD

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-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
US-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-03-15 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-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.