SCHEMBL694460

SCHEMBL694460

COC(=O)Cc1cccc(CC(C)=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.65
HSP90AB1 P08238 1/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
HPGD P15428 3/20 0.48
TSHR P16473 3/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
PDK2 Q15119 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL12400239 0.92 SLC7A5 (0.68) SLC7A5HSP90AB1ALDH1A1GAAGFER
SCHEMBL4394735 0.87 SLC7A5 (0.62) SLC7A5HSP90AB1ALDH1A1GAAGFER
SCHEMBL3627247 0.86 SLC7A5 (0.51) SLC7A5ALDH1A1CYP4F2CYP4A11MAPT
SCHEMBL25811947 0.86 SLC7A5 (0.58) SLC7A5HSP90AB1ALDH1A1GAAGFER
SCHEMBL6509671 0.86 ALDH1A1 (0.46) SLC7A5ALDH1A1
SCHEMBL7718934 0.85 SLC7A5 (0.60) SLC7A5HSP90AB1ALDH1A1GAAGFER
SCHEMBL1560308 0.85 SLC7A5 (0.65) SLC7A5HSP90AB1ALDH1A1GAAGFER
SCHEMBL12508635 0.85 SLC7A5 (0.60) SLC7A5HSP90AB1ALDH1A1GAAGFER
SCHEMBL13140961 0.84 SLC7A5 (0.60) SLC7A5HSP90AB1ALDH1A1GAAGFER
SCHEMBL4613929 0.84 CYP4F2 (0.66) HSP90AB1ALDH1A1GAAGFERCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103936716-B Tool muscarinic receptor antagonists and the diamide compound of beta 2 adrenoreceptor agonists activity 施万呼吸有限责任公司 2016-09-07 CN disclosed
CN-103936716-A Diamide compounds having muscarinic receptor antagonist and beta 2 adrenoceptor agonist activity THERAVANCE INC 2014-07-23 CN disclosed
CN-102405218-B Muscarinic receptor antagonists and beta2Diamide compounds having adrenergic receptor agonist activity THERAVANCE INC 2014-06-04 CN disclosed
CN-102405218-A Muscarinic receptor antagonists and beta2Diamide compounds having adrenergic receptor agonist activity THERAVANCE INC 2012-04-04 CN disclosed
EP-2421849-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Theravance, Inc. (US) 2012-02-29 EP disclosed
EP-1730103-B1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LTD (GB) 2010-05-26 EP disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
EP-1624868-B9 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2009-08-12 EP disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-7067541-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2006-06-27 US disclosed
CN-1791407-A [(2-hydroxy-2-(4-hydroxy-3-hydroxymethylphenyl)-ethylamino)-propyl] phenyl derivatives as beta2 agonists PFIZER (US) 2006-06-21 CN disclosed
EP-1633714-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
EP-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
EP-1577292-A1 Phenylaminoethanol derivatives as beta2 receptor agonists Pfizer Limited (GB) 2005-09-21 EP disclosed
EP-1574501-A1 Quinolinone derivatives, pharmaceutical compositions containing them and their use Pfizer Limited (GB) 2005-09-14 EP disclosed
US-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-20 US disclosed
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-06 US disclosed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO disclosed
WO-2004108675-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LIMITED (GB) 2004-12-16 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 (2 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-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 SLC7A5 1169/4885HSP90AB1 3476/4885ALDH1A1 313/4885
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 SLC7A5 1169/4885HSP90AB1 3476/4885ALDH1A1 313/4885

“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.