SCHEMBL2940892

SCHEMBL2940892

COc1ccc(-c2c(C)noc2-c2cc(/C=C/C(=O)OC(C)(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
AKR1C3 P42330 5/20 0.39
ALOX5 P09917 1/20 0.38
ALOX5AP P20292 1/20 0.38
BRD4 O60885 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PDK1 Q15118 1/20 0.37
MAPT P10636 1/20 0.36
PTPN1 P18031 1/20 0.36
CREBBP Q92793 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36

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
SCHEMBL2940893 1.00 HDAC8 (0.47) HDAC8SMN1; SMN2CSNK2A2CSNK2A1AKR1C3
SCHEMBL12939026 0.95 HDAC8 (0.45) HDAC8SMN1; SMN2CSNK2A2CSNK2A1AKR1C3
SCHEMBL12966424 0.88 MAPT (0.38) HDAC8SMN1; SMN2ALOX5ALOX5APBRD4
SCHEMBL2946710 0.84 SMN1; SMN2 (0.43) HDAC8SMN1; SMN2CSNK2A2CSNK2A1AKR1C3
SCHEMBL2946707 0.84 SMN1; SMN2 (0.43) HDAC8SMN1; SMN2CSNK2A2CSNK2A1AKR1C3
SCHEMBL2948361 0.80 CSNK2A2 (0.46) SMN1; SMN2CSNK2A2CSNK2A1AKR1C3ALOX5
SCHEMBL11994492 0.79 ALOX5 (0.48) SMN1; SMN2CSNK2A2CSNK2A1ALOX5ALOX5AP
SCHEMBL2940825 0.79 SMN1; SMN2 (0.48) SMN1; SMN2CSNK2A2CSNK2A1ALOX5ALOX5AP
SCHEMBL19602913 0.78 ALOX5 (0.40) SMN1; SMN2CSNK2A2CSNK2A1AKR1C3ALOX5
SCHEMBL2939968 0.78 SMN1; SMN2 (0.46) SMN1; SMN2CSNK2A2CSNK2A1ALOX5ALOX5AP

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 HDAC8 1500/4885SMN1; SMN2 3230/4885CSNK2A2 332/4885
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P HDAC8 1777/4885SMN1; SMN2 2928/4885CSNK2A2 421/4885
US-20060241106-A1 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P HDAC8 1871/4885SMN1; SMN2 2977/4885CSNK2A2 491/4885
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P HDAC8 1797/4885SMN1; SMN2 2968/4885CSNK2A2 458/4885
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P HDAC8 1777/4885SMN1; SMN2 2928/4885CSNK2A2 421/4885

“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.