SCHEMBL2944769

SCHEMBL2944769

CCOC(=O)C(=O)CC(=O)c1cc(Br)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
NR1H4 Q96RI1 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ABCB1 P08183 2/20 0.44
ADAM17 P78536 1/20 0.42
PPIA P62937 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LRRK2 Q5S007 1/20 0.41
LMNA P02545 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL12939113 0.92 NR1H4 (0.46) ALDH1A1NR1H4SMN1; SMN2ADAM17PPIA
SCHEMBL3956579 0.86 ALDH1A1 (0.47) ALDH1A1NR1H4SMN1; SMN2PPIAL3MBTL1
SCHEMBL7911106 0.84 ALDH1A1 (0.55) ALDH1A1NR1H4SMN1; SMN2L3MBTL1LMNA
SCHEMBL26666325 0.84 LRRK2 (0.52) ALDH1A1NR1H4SMN1; SMN2L3MBTL1TDP1
SCHEMBL19766826 0.83 MCL1 (0.47) ALDH1A1NR1H4SMN1; SMN2PPIAL3MBTL1
SCHEMBL69725 0.83 SGMS2 (0.52) ALDH1A1NR1H4ABCB1PPIAL3MBTL1
SCHEMBL30535266 0.83 SGMS2 (0.52) ALDH1A1NR1H4ABCB1PPIAL3MBTL1
SCHEMBL2945357 0.83 NR1H4 (0.44) ALDH1A1NR1H4SMN1; SMN2PPIAL3MBTL1
SCHEMBL11994323 0.82 KDM4E (0.42) ALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL1043101 0.82 FFAR4 (0.52) ALDH1A1NR1H4PPIAL3MBTL1LRRK2

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 21 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-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-20130289026-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS DEVELOPMENT LIMITED (GB) 2013-10-31 US disclosed
US-8507480-B2 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS (R&D) LIMITED (GB) 2013-08-13 US disclosed
US-8450310-B2 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS (R&D) LIMITED (GB) 2013-05-28 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-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 (7 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 ALDH1A1 693/4885NR1H4 2411/4885SMN1; SMN2 4020/4885
US-20100179138-A1 Isozazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 279/4885NR1H4 2112/4885SMN1; SMN2 3230/4885
US-20130289026-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 350/4885NR1H4 1921/4885SMN1; SMN2 2928/4885
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 350/4885NR1H4 1921/4885SMN1; SMN2 2928/4885
US-20060241106-A1 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 380/4885NR1H4 2079/4885SMN1; SMN2 2977/4885
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 351/4885NR1H4 1907/4885SMN1; SMN2 2968/4885
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 350/4885NR1H4 1921/4885SMN1; SMN2 2928/4885

“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.