SCHEMBL448081

SCHEMBL448081

CN(NS(=O)(=O)CC(=O)NN(C)C(=S)N1CCCCC1)C(=S)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 3/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
USP2 O75604 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL446744 0.99 HSP90AA1 (0.51) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2NPC1
SCHEMBL447103 0.96 HSP90AA1 (0.53) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2NPC1
SCHEMBL449259 0.95 HSP90AA1 (0.54) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2NPC1
SCHEMBL464655 0.85 HSP90AA1 (0.68) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2NPC1
SCHEMBL445524 0.84 MEN1 (0.33) KMT2AMEN1
SCHEMBL445761 0.82 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2NPC1
SCHEMBL447710 0.80 HSP90AA1 (0.51) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL446362 0.79 HSP90AA1 (0.63) HSP90AA1HSP90AB1ALDH1A1POLBHPGD
SCHEMBL449157 0.79 HSP90AA1 (0.51) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2NPC1
SCHEMBL448191 0.79 HSP90AA1 (0.53) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2RAB9A

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 1711/4885ALDH1A1 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.