SCHEMBL382849

SCHEMBL382849

CC(C)c1ccc(OCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
MRGPRX4 Q96LA9 3/20 0.51
PTGER1 P34995 2/20 0.49
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
GLRA1 P23415 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
MCL1 Q07820 2/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46

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
SCHEMBL6391576 0.89 MCL1 (0.56) FOLH1L3MBTL1KDM4EALDH1A1POLB
SCHEMBL1648346 0.88 HTT (0.50) FOLH1L3MBTL1KDM4EALDH1A1POLB
SCHEMBL1634585 0.84 CTSV (0.49) FOLH1L3MBTL1KDM4EALDH1A1POLB
SCHEMBL128622 0.84 RXRA (0.57) FOLH1KDM4EALDH1A1MRGPRX4PTGER1
SCHEMBL4428242 0.83 FOLH1 (0.59) FOLH1L3MBTL1KDM4EALDH1A1POLB
SCHEMBL11597255 0.82 FOLH1 (0.52) FOLH1L3MBTL1KDM4EALDH1A1POLB
SCHEMBL24413627 0.82 TSHR (0.53) KDM4EALDH1A1SMN1; SMN2
SCHEMBL9574279 0.82 FOLH1 (0.54) FOLH1L3MBTL1KDM4EALDH1A1POLB
SCHEMBL8079907 0.82 FOLH1 (0.68) FOLH1L3MBTL1KDM4EALDH1A1POLB
SCHEMBL29179302 0.82 FOLH1 (0.60) FOLH1L3MBTL1KDM4EALDH1A1POLB

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 33 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
US-8816087-B2 Hydroxybenzamide derivatives and their use as inhibitors of Hsp90 ASTEX THERAPEUTICS LIMITED (GB) 2014-08-26 US disclosed
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
US-8779132-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 US disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
US-20100179145-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2010-07-15 US disclosed
US-7754725-B2 Dihydroxyphenyl isoindolymethanones ASTEX THERAPEUTICS LTD. (GB) 2010-07-13 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
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 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 (9 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-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 FOLH1 4750/4885L3MBTL1 3182/4885KDM4E 3451/4885
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 FOLH1 4191/4885L3MBTL1 731/4885KDM4E 3534/4885
US-20100092474-A1 PHARMACEUTICAL COMBINATIONS HSP90AB1, HEATR6, HEATR1 FOLH1 4259/4885L3MBTL1 4692/4885KDM4E 4240/4885
US-20100152184-A1 PHARMACEUTICAL COMPOUNDS RPP30, RPLP1, NR5A1 FOLH1 2551/4885L3MBTL1 2431/4885KDM4E 4368/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 FOLH1 4751/4885L3MBTL1 3211/4885KDM4E 3464/4885
US-20090215772-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 FOLH1 4751/4885L3MBTL1 3072/4885KDM4E 3392/4885
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 FOLH1 4751/4885L3MBTL1 3211/4885KDM4E 3464/4885
US-20090298818-A1 PHARMACEUTICAL COMPOUNDS H1-10, C1R, C1S FOLH1 2787/4885L3MBTL1 1673/4885KDM4E 3265/4885
US-20100179145-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, CDK6 FOLH1 4533/4885L3MBTL1 4773/4885KDM4E 3468/4885

“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.