SCHEMBL2943692

SCHEMBL2943692

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
HSP90AA1 P07900 12/20 0.46
HSP90AB1 P08238 12/20 0.46
PDK1 Q15118 11/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX15 P16050 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL2943694 1.00 MAPT (0.48) MAPTHSP90AA1HSP90AB1PDK1SMN1; SMN2
SCHEMBL11994337 0.86 MAPT (0.52) MAPTHSP90AA1HSP90AB1PDK1SMN1; SMN2
SCHEMBL2948691 0.85 SMN1; SMN2 (0.50) MAPTHSP90AA1HSP90AB1PDK1SMN1; SMN2
SCHEMBL2948689 0.85 SMN1; SMN2 (0.50) MAPTHSP90AA1HSP90AB1PDK1SMN1; SMN2
SCHEMBL11994086 0.84 MAPT (0.52) MAPTHSP90AA1HSP90AB1PDK1SMN1; SMN2
SCHEMBL2941599 0.79 SMN1; SMN2 (0.56) MAPTHSP90AA1HSP90AB1PDK1SMN1; SMN2
SCHEMBL2939457 0.78 HSP90AA1 (0.52) MAPTHSP90AA1HSP90AB1PDK1SMN1; SMN2
SCHEMBL13708502 0.78 HSP90AA1 (0.58) MAPTHSP90AA1HSP90AB1PDK1SMN1; SMN2
SCHEMBL2945591 0.78 HSP90AA1 (0.57) MAPTHSP90AA1HSP90AB1PDK1SMN1; SMN2
SCHEMBL2946366 0.78 HSP90AA1 (0.64) MAPTHSP90AA1HSP90AB1PDK1HDAC3

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 32 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
EP-1611112-B1 ISOXAZOLE COMPOUNDS AS INHIBITORS OF HEAT SHOCK PROTEINS VERNALIS CAMBRIDGE LTD (GB) 2012-08-22 EP 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 (5 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-20100179138-A1 Isozazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P MAPT 4442/4885HSP90AA1 2/4885HSP90AB1 1/4885
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P MAPT 4418/4885HSP90AA1 2/4885HSP90AB1 1/4885
US-20060241106-A1 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P MAPT 4314/4885HSP90AA1 2/4885HSP90AB1 1/4885
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P MAPT 4411/4885HSP90AA1 2/4885HSP90AB1 1/4885
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P MAPT 4418/4885HSP90AA1 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.