SCHEMBL8930869

SCHEMBL8930869

Cc1c(O)c(CC(C)C)cc(-c2nnc(S)n2-c2cccc3ccccc23)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TLR8 Q9NR97 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL930878 0.89 HPGD (0.35) HPGDHSP90AA1HSP90AB1TLR8KDM4E
SCHEMBL930914 0.88 HSP90AA1 (0.36) HPGDHSP90AA1HSP90AB1TLR8GABRA1
SCHEMBL931310 0.78 HPGD (0.34) HPGDHSP90AA1HSP90AB1TLR8KDM4E
SCHEMBL931385 0.78 HSP90AA1 (0.37) HPGDHSP90AA1HSP90AB1TLR8KDM4E
SCHEMBL929862 0.76 HSP90AA1 (0.38) HPGDHSP90AA1HSP90AB1TLR8KDM4E
SCHEMBL931360 0.75 ALDH1A1 (0.41) HPGDHSP90AA1HSP90AB1TLR8KDM4E
SCHEMBL930854 0.75 NOTUM (0.40) HPGDHSP90AA1HSP90AB1TLR8KDM4E
SCHEMBL931271 0.74 HPGD (0.39) HPGDHSP90AA1HSP90AB1TLR8KDM4E
SCHEMBL930024 0.74 CYP1A2 (0.40) HPGDHSP90AA1HSP90AB1TLR8KDM4E
SCHEMBL930617 0.73 HSP90AA1 (0.42) HPGDHSP90AA1HSP90AB1MEN1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188075-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-29 US disclosed
US-8188075-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-29 US disclosed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 US disclosed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 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 (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-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P HPGD 202/4885HSP90AA1 2/4885HSP90AB1 1/4885

“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.