SCHEMBL1255123

SCHEMBL1255123

CC(C)c1c(C=O)oc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
CASP7 P55210 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
PGAM1 P18669 1/20 0.44
MAOA P21397 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 5/20 0.40
NQO1 P15559 2/20 0.40
CRHBP P24387 1/20 0.40
CASP6 P55212 1/20 0.40
CRHR2 Q13324 1/20 0.40
HIF1A Q16665 1/20 0.40
THRB P10828 1/20 0.40
VKORC1 Q9BQB6 2/20 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
SCHEMBL25406401 0.82 MAOA (0.44) KDM4ECASP7HSD17B10ALDH1A1GLA
SCHEMBL31698771 0.82 MAOA (0.44) KDM4ECASP7HSD17B10ALDH1A1GLA
SCHEMBL719219 0.76 L3MBTL1 (0.55) KDM4ECASP7HSD17B10ALDH1A1GLA
SCHEMBL5730839 0.74 CYP2C9 (0.56) CASP7CYP2C9NQO1CRHBPCASP6
SCHEMBL13328139 0.73 CYP2C9 (0.41) KDM4ECASP7HSD17B10ALDH1A1GLA
SCHEMBL10238246 0.73 CA2 (0.42) KDM4ECASP7HSD17B10ALDH1A1GLA
SCHEMBL5794104 0.73 MAOA (0.50) KDM4ECASP7HSD17B10ALDH1A1GLA
SCHEMBL5226658 0.73 KDM4E (0.53) KDM4ECASP7HSD17B10ALDH1A1GLA
SCHEMBL1253554 0.72 KDM4E (0.48) KDM4ECASP7HSD17B10ALDH1A1GLA
SCHEMBL25405004 0.72 MAOA (0.48) KDM4ECASP7HSD17B10ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2022-07-21 US disclosed
CN-108430994-B Compounds, compositions and methods for modulating CFTR 蛋白质平衡治疗股份有限公司 2022-04-12 CN disclosed
US-11136313-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
EP-3359536-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2021-08-04 EP disclosed
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2020-12-10 US disclosed
US-10550106-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-02-04 US disclosed
US-20180291006-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2018-10-11 US disclosed
WO-2017062581-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-04-13 WO disclosed
EP-2848614-A2 Acrylamide derivatives as antibiotic agents Debiopharm International SA (CH) 2015-03-18 EP disclosed
EP-2848614-A2 Acrylamide derivatives as antibiotic agents Debiopharm International SA (CH) 2015-03-18 EP disclosed
US-20100093705-A1 Therapeutic agents, and methods of making and using the same DEBIOPHARM INTERNATIONAL SA (CH) 2010-04-15 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
EP-1973902-A2 3-HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS Affinium Pharmaceuticals, Inc. (CA) 2008-10-01 EP disclosed
EP-1828167-A2 ACRYLAMIDE DERIVATIVES AS ANTIBIOTIC AGENTS Affinium Pharmaceuticals, Inc. (CA) 2007-09-05 EP disclosed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 WO disclosed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 WO disclosed
WO-2007053131-A2 ACRYLAMIDE DERIVATIVES AS ANTIBIOTIC AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-05-10 WO disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI KDM4E 3209/4885CASP7 3162/4885HSD17B10 1758/4885
US-20100093705-A1 Therapeutic agents, and methods of making and using the same MCL1, DHFR, ANXA5 KDM4E 4494/4885CASP7 529/4885HSD17B10 2381/4885
US-11136313-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G KDM4E 4558/4885CASP7 2315/4885HSD17B10 2467/4885
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G KDM4E 4558/4885CASP7 2315/4885HSD17B10 2467/4885
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G KDM4E 4558/4885CASP7 2315/4885HSD17B10 2467/4885
US-10550106-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G KDM4E 4558/4885CASP7 2315/4885HSD17B10 2467/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF KDM4E 4139/4885CASP7 201/4885HSD17B10 2027/4885
US-20180291006-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G KDM4E 4558/4885CASP7 2315/4885HSD17B10 2467/4885

“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.