SCHEMBL446049

SCHEMBL446049

CN(NC(=O)CS(=O)(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccsc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.55
HSP90AB1 P08238 1/20 0.55
HSD11B1 P28845 1/20 0.41
HPGD P15428 1/20 0.36
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
GPR52 Q9Y2T5 1/20 0.34
C5AR1 P21730 1/20 0.34
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
DAO P14920 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
OPRM1 P35372 7/20 0.33
OPRK1 P41145 5/20 0.33
OPRD1 P41143 4/20 0.33
HDAC1 Q13547 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
SCHEMBL448996 1.00 HSP90AA1 (0.55) HSP90AA1HSP90AB1HSD11B1HPGDKCNK3
SCHEMBL448878 0.94 HSP90AA1 (0.45) HSP90AA1HSP90AB1HSD11B1HPGDC5AR1
SCHEMBL464655 0.89 HSP90AA1 (0.68) HSP90AA1HSP90AB1HSD11B1HPGDALDH1A1
SCHEMBL446362 0.83 HSP90AA1 (0.63) HSP90AA1HSP90AB1HSD11B1HPGDLCK
SCHEMBL445761 0.83 HSP90AA1 (0.59) HSP90AA1HSP90AB1HSD11B1HPGDALDH1A1
SCHEMBL445596 0.83 HSP90AA1 (0.59) HSP90AA1HSP90AB1HPGDKCNK3ALDH1A1
SCHEMBL451434 0.81 HSP90AA1 (0.54) HSP90AA1HSP90AB1HPGDKCNK3KCNK9
SCHEMBL10228912 0.81 HSP90AA1 (0.54) HSP90AA1HSP90AB1HPGDKCNK3KCNK9
SCHEMBL447290 0.81 HSP90AA1 (0.51) HSP90AA1HSP90AB1HPGDC5AR1ALDH1A1
SCHEMBL446749 0.81 HSP90AA1 (0.59) HSP90AA1HSP90AB1HSD11B1HPGDALDH1A1

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 6 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

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.