SCHEMBL446377

SCHEMBL446377

CN(NC(=O)CS(=O)(=O)NN(C)C(=S)c1ccccc1)C(=S)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
PLOD2 O00469 1/20 0.42
ALDH1A1 P00352 6/20 0.40
GAA P10253 6/20 0.40
APP P05067 1/20 0.40
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
CYP2C9 P11712 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL450425 1.00 HSP90AA1 (0.55) HSP90AA1HSP90AB1PLOD2ALDH1A1GAA
SCHEMBL445921 0.97 HSP90AA1 (0.49) HSP90AA1HSP90AB1PLOD2ALDH1A1GAA
SCHEMBL445596 0.90 HSP90AA1 (0.59) HSP90AA1HSP90AB1PLOD2ALDH1A1GAA
SCHEMBL464655 0.89 HSP90AA1 (0.68) HSP90AA1HSP90AB1ALDH1A1GAAKDM4E
SCHEMBL450180 0.87 HSP90AA1 (0.51) HSP90AA1HSP90AB1ALDH1A1GAAKDM4E
SCHEMBL449439 0.87 HSP90AA1 (0.51) HSP90AA1HSP90AB1ALDH1A1GAAKDM4E
SCHEMBL446362 0.83 HSP90AA1 (0.63) HSP90AA1HSP90AB1ALDH1A1LMNAMAPT
SCHEMBL445761 0.83 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALDH1A1GAAKDM4E
SCHEMBL451434 0.83 HSP90AA1 (0.54) HSP90AA1HSP90AB1ALDH1A1GAAAPP
SCHEMBL10228912 0.83 HSP90AA1 (0.54) HSP90AA1HSP90AB1ALDH1A1GAAAPP

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-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
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
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 1711/4885PLOD2 3807/4885

“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.