SCHEMBL445596

SCHEMBL445596

CN(NC(=O)CS(=O)(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.59
HSP90AB1 P08238 1/20 0.59
ALDH1A1 P00352 3/20 0.41
PLOD2 O00469 1/20 0.41
PLOD3 O60568 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
PLOD1 Q02809 1/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.36
GAA P10253 2/20 0.35
EPHX1 P07099 1/20 0.35
CA1 P00915 2/20 0.35

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
SCHEMBL464655 0.93 HSP90AA1 (0.68) HSP90AA1HSP90AB1ALDH1A1CYP3A4HPGD
SCHEMBL446377 0.90 HSP90AA1 (0.55) HSP90AA1HSP90AB1ALDH1A1PLOD2CYP3A4
SCHEMBL450425 0.90 HSP90AA1 (0.55) HSP90AA1HSP90AB1ALDH1A1PLOD2CYP3A4
SCHEMBL446362 0.86 HSP90AA1 (0.63) HSP90AA1HSP90AB1ALDH1A1HPGDKMT2A
SCHEMBL445761 0.86 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALDH1A1HPGDKMT2A
SCHEMBL451434 0.86 HSP90AA1 (0.54) HSP90AA1HSP90AB1ALDH1A1CYP2C9HPGD
SCHEMBL10228912 0.86 HSP90AA1 (0.54) HSP90AA1HSP90AB1ALDH1A1CYP2C9HPGD
SCHEMBL450180 0.86 HSP90AA1 (0.51) HSP90AA1HSP90AB1ALDH1A1CYP1A2CYP2C9
SCHEMBL449439 0.86 HSP90AA1 (0.51) HSP90AA1HSP90AB1ALDH1A1CYP1A2CYP2C9
SCHEMBL445921 0.86 HSP90AA1 (0.49) HSP90AA1HSP90AB1ALDH1A1PLOD2KMT2A

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 1711/4885ALDH1A1 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.