SCHEMBL446744

SCHEMBL446744

CN(NS(=O)(=O)CC(=O)NN(C)C(=S)N1CCCC1)C(=S)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
RAB9A P51151 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL448081 0.99 HSP90AA1 (0.50) HSP90AA1HSP90AB1RAB9AKMT2ANPC1
SCHEMBL449259 0.96 HSP90AA1 (0.54) HSP90AA1HSP90AB1RAB9AKMT2ANPC1
SCHEMBL447103 0.95 HSP90AA1 (0.53) HSP90AA1HSP90AB1RAB9AKMT2ANPC1
SCHEMBL464655 0.86 HSP90AA1 (0.68) HSP90AA1HSP90AB1RAB9AKMT2ANPC1
SCHEMBL445524 0.85 MEN1 (0.33) KMT2AMEN1
SCHEMBL445761 0.83 HSP90AA1 (0.59) HSP90AA1HSP90AB1RAB9AKMT2ANPC1
SCHEMBL447710 0.80 HSP90AA1 (0.51) HSP90AA1HSP90AB1RAB9AKMT2ASMN1; SMN2
SCHEMBL446362 0.80 HSP90AA1 (0.63) HSP90AA1HSP90AB1KMT2AALDH1A1POLB
SCHEMBL449157 0.80 HSP90AA1 (0.51) HSP90AA1HSP90AB1RAB9AKMT2ANPC1
SCHEMBL448191 0.80 HSP90AA1 (0.53) HSP90AA1HSP90AB1RAB9AKMT2ASMN1; SMN2

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 1711/4885RAB9A 1982/4885

“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.