SCHEMBL13380804

SCHEMBL13380804

CN(NC(=S)CC(=S)NN(C)C(N)=O)C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
TAS2R38 P59533 1/20 0.32

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
SCHEMBL14306617 0.78 HSP90AA1 (0.33) HSP90AA1HSP90AB1
SCHEMBL1744665 0.74
SCHEMBL15778116 0.71 HSP90AA1 (0.32) HSP90AA1HSP90AB1
SCHEMBL9921485 0.71 MEN1 (0.36) HSP90AA1HSP90AB1
SCHEMBL28654635 0.70
SCHEMBL13380739 0.69 FFAR3 (0.33)
SCHEMBL11800416 0.68 NQO1 (0.30)
SCHEMBL12216285 0.67 HSP90AA1 (0.48) HSP90AA1HSP90AB1TAS2R38
SCHEMBL12689283 0.67 ALDH1A1 (0.32)
SCHEMBL16439738 0.66

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-9156783-B2 Compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-10-13 US disclosed
US-9156783-B2 Compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-10-13 US disclosed
US-20150025042-A1 Compounds For Treating Proliferative Disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-01-22 US disclosed
US-20150025042-A1 Compounds For Treating Proliferative Disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-01-22 US disclosed
US-20100081635-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2010-04-01 US disclosed
US-20100081635-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2010-04-01 US disclosed
WO-2008024303-A2 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2008-02-28 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 (2 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-20100081635-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS HSPB1, HSP90AB1, HSPA1B HSP90AA1 10/4885HSP90AB1 2/4885TAS2R38 4524/4885
US-20150025042-A1 Compounds For Treating Proliferative Disorders HSP90AB1, HSPB1, HSP90AB2P HSP90AA1 9/4885HSP90AB1 1/4885TAS2R38 4421/4885

“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.