SCHEMBL6747327

SCHEMBL6747327

CC(C)c1cc(-c2nnc(O)n2Nc2ccc3c(c2)OCO3)c(O)cc1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSP90B1 P14625 2/20 0.39
TRAP1 Q12931 2/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HTT P42858 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.37
USP2 O75604 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
SCHEMBL6747334 0.90 MAPT (0.40) HSP90AA1SMN1; SMN2MAPTNPC1TP53
SCHEMBL3995708 0.86 MAPT (0.39) SMN1; SMN2MAPTNPC1TP53NFKB1
SCHEMBL6747326 0.78 HSP90AA1 (0.47) HSP90AA1MAPTALDH1A1TRAP1KMT2A
SCHEMBL3993912 0.77 TSHR (0.49) HSP90AA1SMN1; SMN2MAPTALDH1A1HSP90B1
SCHEMBL6747219 0.77 HPGD (0.45) HSP90AA1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3990986 0.76 MAPT (0.40) HSP90AA1SMN1; SMN2MAPTNPC1TP53
SCHEMBL6747581 0.75 CHRM4 (0.41) HSP90AA1ALDH1A1HSP90B1TRAP1HSP90AB1
SCHEMBL6747483 0.74 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL3998734 0.73 NPSR1 (0.43) HSP90AA1SMN1; SMN2MAPTALDH1A1HSP90B1
SCHEMBL3702334 0.73 HSP90AA1 (0.47) HSP90AA1HSP90B1TRAP1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-03-21 US disclosed
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-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
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-09 US disclosed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US disclosed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US disclosed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 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 (3 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-20080004277-A1 Triazole compounds that modulate HSP90 activity HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885SMN1; SMN2 4584/4885MAPT 2927/4885
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885SMN1; SMN2 4584/4885MAPT 2927/4885
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885SMN1; SMN2 4584/4885MAPT 2927/4885

“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.