SCHEMBL448907

SCHEMBL448907

CCN(NC(=O)CS(=O)(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
HPGD P15428 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HTT P42858 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 4/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 3/20 0.34
MITF O75030 1/20 0.34
APP P05067 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
SCHEMBL445639 0.92 HSP90AA1 (0.50) HSP90AA1HSP90AB1HPGDNPC1RAB9A
SCHEMBL451434 0.90 HSP90AA1 (0.54) HSP90AA1HSP90AB1HPGDNPC1RAB9A
SCHEMBL10228912 0.90 HSP90AA1 (0.54) HSP90AA1HSP90AB1HPGDNPC1RAB9A
SCHEMBL464655 0.80 HSP90AA1 (0.68) HSP90AA1HSP90AB1HPGDNPC1RAB9A
SCHEMBL13292944 0.79 HSP90AA1 (0.44) HSP90AA1HSP90AB1HPGDNPC1RAB9A
SCHEMBL450180 0.79 HSP90AA1 (0.51) HSP90AA1HSP90AB1HPGDRAB9ACYP2C9
SCHEMBL449439 0.79 HSP90AA1 (0.51) HSP90AA1HSP90AB1HPGDRAB9ACYP2C9
SCHEMBL445596 0.79 HSP90AA1 (0.59) HSP90AA1HSP90AB1HPGDCYP2C9KMT2A
SCHEMBL446308 0.78 HSP90AA1 (0.54) HSP90AA1HSP90AB1HPGDNPC1RAB9A
SCHEMBL445761 0.77 HSP90AA1 (0.59) HSP90AA1HSP90AB1HPGDNPC1RAB9A

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 1711/4885HPGD 624/4885

“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.