SCHEMBL2946366

SCHEMBL2946366

COc1ccc(-c2c(C)noc2-c2cc(Cl)c(O)cc2O)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 17/20 0.64
HSP90AB1 P08238 10/20 0.64
PDK1 Q15118 9/20 0.60
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
MAPT P10636 1/20 0.55

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
SCHEMBL2945591 0.85 HSP90AA1 (0.57) HSP90AA1HSP90AB1PDK1HDAC3HDAC4
SCHEMBL11994485 0.84 ALOX5 (0.50) HSP90AA1HSP90AB1PDK1
SCHEMBL22671962 0.84 MAPT (0.72) HSP90AA1MAPT
SCHEMBL2941599 0.84 SMN1; SMN2 (0.56) HSP90AA1HSP90AB1PDK1MAPT
SCHEMBL13242851 0.83 HSP90AA1 (0.74) HSP90AA1HSP90AB1PDK1HDAC3HDAC4
SCHEMBL5318775 0.83 HSP90AA1 (0.74) HSP90AA1HSP90AB1PDK1HDAC3HDAC4
SCHEMBL5322861 0.83 HSP90AA1 (0.74) HSP90AA1HSP90AB1PDK1HDAC3HDAC4
SCHEMBL13708502 0.83 HSP90AA1 (0.58) HSP90AA1HSP90AB1PDK1HDAC3HDAC4
SCHEMBL30203871 0.82 MAPT (0.66) HSP90AA1HSP90AB1PDK1MAPT
SCHEMBL2947037 0.82 MAPT (0.66) HSP90AA1HSP90AB1PDK1MAPT

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-02-01 US disclosed
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-02-01 US disclosed
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins THE INSTITUTE OF CANCER RESEARCH (GB) 2019-09-17 US disclosed
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins THE INSTITUTE OF CANCER RESEARCH (GB) 2019-09-17 US disclosed
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS DEVELOPMENT LIMITED (GB) 2017-11-16 US disclosed
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS DEVELOPMENT LIMITED (GB) 2017-11-16 US disclosed
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS DEVELOPMENT LIMITED (GB) 2017-11-16 US disclosed
US-9718793-B2 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS (R&D) LTD. (GB) 2017-08-01 US disclosed
US-9718793-B2 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS (R&D) LTD. (GB) 2017-08-01 US disclosed
US-9718793-B2 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS (R&D) LTD. (GB) 2017-08-01 US disclosed
US-20120252797-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS (CAMBRIDGE) LIMITED (GB) 2012-10-04 US disclosed
EP-1611112-B1 ISOXAZOLE COMPOUNDS AS INHIBITORS OF HEAT SHOCK PROTEINS VERNALIS CAMBRIDGE LTD (GB) 2012-08-22 EP disclosed
US-20100179138-A1 Isozazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-07-15 US disclosed
US-20100179138-A1 Isozazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-07-15 US disclosed
US-7705027-B2 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-04-27 US disclosed
US-7705027-B2 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-04-27 US disclosed
US-7705027-B2 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-04-27 US disclosed
US-20060241106-A1 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS DEVELOPMENT LIMITED (GB) 2006-10-26 US disclosed
EP-1611112-A1 ISOXAZOLE COMPOUNDS AS INHIBITORS OF HEAT SHOCK PROTEINS Vernalis (Cambridge) Limited (GB) 2006-01-04 EP disclosed
WO-2004072051-A1 ISOXAZOLE COMPOUNDS AS INHIBITORS OF HEAT SHOCK PROTEINS VERNALIS (CAMBRIDGE) LIMITED (GB) 2004-08-26 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 (6 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-20120252797-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885PDK1 542/4885
US-20100179138-A1 Isozazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885PDK1 2163/4885
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885PDK1 2474/4885
US-20060241106-A1 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885PDK1 2396/4885
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885PDK1 2427/4885
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885PDK1 2474/4885

“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.