SCHEMBL2945495

SCHEMBL2945495

COc1ccc(-c2c(C)noc2-c2cc(CCc3ccccc3)c(O)cc2O)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.53
HSP90AB1 P08238 6/20 0.53
ALOX5 P09917 1/20 0.50
ALOX5AP P20292 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 4/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDK1 Q15118 2/20 0.47
BRD4 O60885 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 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
SCHEMBL2946439 0.91 ALOX5 (0.53) HSP90AA1HSP90AB1ALOX5ALOX5APSMN1; SMN2
SCHEMBL11994087 0.89 HSP90AA1 (0.50) HSP90AA1HSP90AB1ALOX5ALOX5APSMN1; SMN2
SCHEMBL13708502 0.85 HSP90AA1 (0.58) HSP90AA1HSP90AB1ALOX5ALOX5APSMN1; SMN2
SCHEMBL2941599 0.83 SMN1; SMN2 (0.56) HSP90AA1HSP90AB1ALOX5ALOX5APSMN1; SMN2
SCHEMBL11994483 0.82 HSP90AA1 (0.70) HSP90AA1HSP90AB1PDK1
SCHEMBL30203999 0.81 ALOX5 (0.65) HSP90AA1ALOX5ALOX5APSMN1; SMN2MAPT
SCHEMBL22672249 0.81 ALOX5 (0.65) HSP90AA1ALOX5ALOX5APSMN1; SMN2MAPT
SCHEMBL13707085 0.80 MAPT (0.51) HSP90AA1HSP90AB1ALOX5ALOX5APSMN1; SMN2
SCHEMBL2945591 0.78 HSP90AA1 (0.57) HSP90AA1HSP90AB1ALOX5ALOX5APSMN1; SMN2
SCHEMBL2946366 0.78 HSP90AA1 (0.64) HSP90AA1HSP90AB1MAPTPDK1

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 1/4885ALOX5 3662/4885
US-20100179138-A1 Isozazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885ALOX5 3167/4885
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885ALOX5 2909/4885
US-20060241106-A1 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885ALOX5 3173/4885
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885ALOX5 2892/4885
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885ALOX5 2909/4885

“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.