SCHEMBL1644251

SCHEMBL1644251

CN(NC(=O)OC(C)(C)C)C(=S)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.60
HSP90AB1 P08238 1/20 0.60
AKT1 P31749 3/20 0.47
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
CTSS P25774 2/20 0.44
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL440962 0.84 AKT1 (0.49) HSP90AA1HSP90AB1AKT1ALDH1A1CTSL
SCHEMBL12192239 0.84 HSP90AA1 (0.68) HSP90AA1HSP90AB1ALDH1A1MAPTMEN1
SCHEMBL13042435 0.83 HSP90AA1 (0.71) HSP90AA1HSP90AB1AKT1ALDH1A1MAPT
SCHEMBL13380813 0.79 HSP90AA1 (0.74) HSP90AA1HSP90AB1ALDH1A1MAPTMEN1
SCHEMBL12808730 0.79 HSP90AA1 (0.74) HSP90AA1HSP90AB1ALDH1A1MAPTMEN1
SCHEMBL14292293 0.78 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALDH1A1MAPTMEN1
SCHEMBL12192354 0.76 HSP90AA1 (0.70) HSP90AA1HSP90AB1ALDH1A1MAPTMEN1
Elesclomol SCHEMBL313745 0.76 HSP90AA1 (1.00) HSP90AA1HSP90AB1ALDH1A1MAPTMEN1
SCHEMBL12154023 0.76 HSP90AA1 (0.70) HSP90AA1HSP90AB1ALDH1A1MAPTNPC1
SCHEMBL27733374 0.76 HSP90AA1 (0.70) HSP90AA1HSP90AB1ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633323-B2 Process for preparing bis(thiohydrazide amides) SYNTA PHARMACEUTICALS CORP. (US) 2014-01-21 US disclosed
US-8633323-B2 Process for preparing bis(thiohydrazide amides) SYNTA PHARMACEUTICALS CORP. (US) 2014-01-21 US disclosed
US-20110098476-A1 PROCESS FOR PREPARING BIS(THIOHYDRAZIDE AMIDES) SYNTA PHARMACEUTICALS CORP. 2011-04-28 US disclosed
US-20110098476-A1 PROCESS FOR PREPARING BIS(THIOHYDRAZIDE AMIDES) SYNTA PHARMACEUTICALS CORP. 2011-04-28 US disclosed
WO-2009123704-A2 PROCESS FOR PREPARING BIS(THIOHYDRAZIDE AMIDES) SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 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-20110098476-A1 PROCESS FOR PREPARING BIS(THIOHYDRAZIDE AMIDES) H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-3, CYB5R3 HSP90AA1 2929/4885HSP90AB1 2572/4885AKT1 3931/4885

“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.