SCHEMBL382478

SCHEMBL382478

Cc1ccc(S(=O)(=O)O)cc1CCNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.51
CA2 P00918 13/20 0.49
CA1 P00915 11/20 0.49
CA12 O43570 5/20 0.49
CA9 Q16790 5/20 0.49
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
IDO1 P14902 1/20 0.41
MALT1 Q9UDY8 1/20 0.39

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
SCHEMBL2587707 0.91 CA1 (0.54) NQO2CA2CA1CA12CA9
SCHEMBL3244228 0.91 CA1 (0.54) NQO2CA2CA1CA12CA9
SCHEMBL25263115 0.89 CA1 (0.49) NQO2CA2CA1CA12CA9
SCHEMBL21070849 0.89 CA1 (0.49) NQO2CA2CA1CA12CA9
SCHEMBL11136377 0.79 NQO2 (0.39) NQO2CA2CA1CA12ALDH1A1
SCHEMBL21680877 0.78 NQO2 (0.57) NQO2TP53MAPTHTTTDP1
SCHEMBL10596213 0.77 ALDH1A1 (0.41) CA2CA1CA12ALDH1A1MAPT
SCHEMBL27829309 0.76 CA1 (0.44) CA2CA1CA12CA9ALDH1A1
SCHEMBL6170508 0.76 CA2 (0.38) CA2CA1CA12CA9ALDH1A1
SCHEMBL6519209 0.75 METAP2 (0.37) NQO2CA2CA1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
EP-2073804-B1 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ASTEX THERAPEUTICS LTD (GB) 2017-09-13 EP disclosed
US-9730912-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-15 US disclosed
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2015-02-12 US disclosed
US-8916552-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-12-23 US disclosed
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 US disclosed
EP-2332909-B1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LTD (GB) 2014-10-15 EP disclosed
US-8816087-B2 Hydroxybenzamide derivatives and their use as inhibitors of Hsp90 ASTEX THERAPEUTICS LIMITED (GB) 2014-08-26 US disclosed
US-8779132-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 US disclosed
US-8530469-B2 Therapeutic combinations of hydroxybenzamide derivatives as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2013-09-10 US disclosed
US-8101648-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS, LTD. (GB) 2012-01-24 US disclosed
EP-2332909-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 Astex Therapeutics Limited (GB) 2011-06-15 EP disclosed
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-05-05 US disclosed
US-20100216782-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 CHESSARI GIANNI 2010-08-26 US disclosed
US-20100179145-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2010-07-15 US disclosed
US-20100152184-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-06-17 US disclosed
US-7700625-B2 Hydroxybenzamide derivatives and their use as inhibitors of Hsp90 ASTEX THERAPEUTICS LTD. (GB) 2010-04-20 US disclosed
US-20100092474-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20090298818-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-12-03 US disclosed
US-20090215772-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LIMITED (UK) 2009-08-27 US 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 (8 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-20100092474-A1 PHARMACEUTICAL COMBINATIONS HSP90AB1, HEATR6, HEATR1 NQO2 315/4885CA2 1225/4885CA1 1908/4885
US-20100216782-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 NQO2 191/4885CA2 1018/4885CA1 2360/4885
US-20100152184-A1 PHARMACEUTICAL COMPOUNDS RPP30, RPLP1, NR5A1 NQO2 1013/4885CA2 3224/4885CA1 2787/4885
US-20090215772-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 NQO2 97/4885CA2 2033/4885CA1 3344/4885
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 NQO2 97/4885CA2 1958/4885CA1 3262/4885
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, GSK3A NQO2 951/4885CA2 874/4885CA1 1366/4885
US-20090298818-A1 PHARMACEUTICAL COMPOUNDS H1-10, C1R, C1S NQO2 1052/4885CA2 574/4885CA1 465/4885
US-20100179145-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, CDK6 NQO2 743/4885CA2 1052/4885CA1 1516/4885

“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.