SCHEMBL448878

SCHEMBL448878

CN(NC(=O)CS(=O)(=O)NN(C)C(=S)c1ccsc1)C(=S)c1ccsc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
HSD11B1 P28845 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC1 Q13547 1/20 0.35
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
DAO P14920 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
C5AR1 P21730 1/20 0.32
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CA4 P22748 1/20 0.30
CA9 Q16790 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
SCHEMBL448996 0.94 HSP90AA1 (0.55) HSP90AA1HSP90AB1HSD11B1HDAC1LCK
SCHEMBL446049 0.94 HSP90AA1 (0.55) HSP90AA1HSP90AB1HSD11B1HDAC1LCK
SCHEMBL464655 0.82 HSP90AA1 (0.68) HSP90AA1HSP90AB1HSD11B1CES1HPGD
SCHEMBL15621595 0.81 HSP90AA1 (0.51) HSP90AA1HSP90AB1HSD11B1CA1CA2
SCHEMBL449222 0.81 HSD11B1 (0.35) HSD11B1CES2CES1HDAC1LCK
SCHEMBL448212 0.80 HSP90AA1 (0.43) HSP90AA1HSP90AB1CES2CES1HDAC1
SCHEMBL449010 0.78 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL451123 0.77 HSP90AA1 (0.50) HSP90AA1HSP90AB1CES2CES1HDAC1
SCHEMBL446362 0.76 HSP90AA1 (0.63) HSP90AA1HSP90AB1HSD11B1HDAC1LCK
SCHEMBL445761 0.76 HSP90AA1 (0.59) HSP90AA1HSP90AB1HSD11B1HPGDKMT2A

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 1711/4885HSD11B1 322/4885

“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.