SCHEMBL2265707

SCHEMBL2265707

CC(C)c1cc(-c2nnc(O)n2-c2ccc(N3CCOCC3)nc2)c(OCc2ccccc2)cc1OP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.52
HSP90AB1 P08238 4/20 0.52
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DGAT1 O75907 1/20 0.37
CYP3A4 P08684 1/20 0.37
LRRK2 Q5S007 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
SCHEMBL12368069 0.94 HSP90AA1 (0.52) HSP90AA1HSP90AB1CNR1CNR2HSD17B10
SCHEMBL12392906 0.93 HSP90AA1 (0.49) HSP90AA1HSP90AB1CNR1CNR2HSD17B10
SCHEMBL12368065 0.87 HSP90AA1 (0.49) HSP90AA1HSP90AB1CNR1CNR2HSD17B10
SCHEMBL12368067 0.87 HSP90AA1 (0.55) HSP90AA1HSP90AB1CNR1CNR2HSD17B10
SCHEMBL2268209 0.87 HSP90AA1 (0.46) HSP90AA1HSP90AB1CNR1CNR2HSD17B10
Hydrochloric Acid SCHEMBL2266384 0.87 HSP90AA1 (0.54) HSP90AA1HSP90AB1CNR1CNR2HSD17B10
SCHEMBL2264698 0.85 HSP90AA1 (0.49) HSP90AA1HSP90AB1CNR1CNR2HSD17B10
SCHEMBL5003209 0.83 CNR1 (0.43) HSP90AA1HSP90AB1CNR1CNR2HSD17B10
SCHEMBL1586249 0.81 HSP90AA1 (0.76) HSP90AA1HSP90AB1CNR2HSD17B10KDM4E
SCHEMBL16141284 0.76 HSP90AA1 (0.59) HSP90AA1HSP90AB1CNR2HSD17B10KDM4E

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-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-12-24 US disclosed
US-9120745-B2 Triazole compounds that modualte HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-09-01 US disclosed
US-20140296186-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2014-10-02 US disclosed
US-8742133-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
US-20110195094-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-08-11 US disclosed
EP-2193135-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2010-06-09 EP disclosed
WO-2009023211-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2009-02-19 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 (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-20110195094-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885CNR1 4451/4885
US-20140296186-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885CNR1 4451/4885
US-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885CNR1 4451/4885

“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.