SCHEMBL5139873

SCHEMBL5139873

CC(C)c1cc(-c2nnc(S)n2S(=O)(=O)c2cccc(CN3CCOCC3)c2)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.41
MAPT P10636 1/20 0.40
PDK1 Q15118 1/20 0.40
HSP90B1 P14625 2/20 0.40
TRAP1 Q12931 2/20 0.40
HSP90AB1 P08238 2/20 0.39
LMNA P02545 2/20 0.39
CHUK O15111 1/20 0.38
MAPK8 P45983 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL11900408 0.92 HSP90AA1 (0.42) HSP90AA1MAPTPDK1HSP90B1TRAP1
SCHEMBL6747599 0.89 HSP90AA1 (0.49) HSP90AA1MAPTPDK1HSP90B1TRAP1
SCHEMBL5130730 0.83 MAPT (0.45) HSP90AA1MAPTPDK1HSP90B1TRAP1
SCHEMBL11900055 0.81 HSP90AA1 (0.45) HSP90AA1MAPTPDK1HSP90B1TRAP1
SCHEMBL6747590 0.80 HSP90AA1 (0.50) HSP90AA1MAPTPDK1HSP90B1TRAP1
SCHEMBL11900631 0.80 PDCD1 (0.42) HSP90AA1MAPTPDK1HSP90B1TRAP1
SCHEMBL3918995 0.79 HSP90AA1 (0.51) HSP90AA1MAPTPDK1HSP90B1TRAP1
SCHEMBL11900837 0.78 MAPT (0.46) HSP90AA1MAPTPDK1HSP90B1TRAP1
SCHEMBL11900779 0.75 HSP90AA1 (0.46) HSP90AA1MAPTPDK1HSP90B1TRAP1
SCHEMBL3995575 0.75 CHRM4 (0.39) HSP90AA1LMNA

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-8329736-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, CORP. (US) 2012-12-11 US claimed
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-09 US claimed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US claimed
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-03-21 US disclosed
US-8329736-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, CORP. (US) 2012-12-11 US disclosed
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-09 US 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-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885MAPT 2927/4885PDK1 1567/4885
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885MAPT 2927/4885PDK1 1567/4885

“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.