SCHEMBL1760957

SCHEMBL1760957

COc1c(C(=O)O)oc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
KDM4E B2RXH2 3/20 0.55
EDNRA P25101 2/20 0.52
ABCG2 Q9UNQ0 1/20 0.51
CYP2C9 P11712 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSD17B10 Q99714 1/20 0.47
MAOA P21397 1/20 0.47
HDAC2 Q92769 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
SCHEMBL6466933 0.89 ABCG2 (0.63) CA12CA9KDM4EEDNRAABCG2
SCHEMBL2775867 0.86 KDM4E (0.69) CA12CA9KDM4EABCG2ALDH1A1
SCHEMBL28250973 0.85 MAPT (0.60) CA12CA9KDM4ECYP2C9ALDH1A1
SCHEMBL1379206 0.85 KDM4E (0.58) CA12CA9KDM4EABCG2CYP2C9
SCHEMBL9434157 0.82 KDM4E (0.44) CA12CA9KDM4EEDNRACYP2C9
SCHEMBL29749285 0.82 MCL1 (0.46) CA12CA9KDM4EEDNRACYP2C9
SCHEMBL6239909 0.82 KDM4E (0.45) KDM4EEDNRAABCG2CYP2C9ALDH1A1
SCHEMBL6240217 0.81 KDM4E (0.51) CA12CA9KDM4EEDNRACYP2C9
SCHEMBL25336876 0.80 KDM4E (0.48) CA12CA9KDM4ECYP2C9ALDH1A1
SCHEMBL8482263 0.80 KDM4E (0.68) KDM4ECYP2C9ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112041296-B Aminoacetamides containing benzooxy alicyclic structures and uses thereof 上海璃道医药科技有限公司 2023-12-29 CN disclosed
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
CN-112041296-A Aminoacetamides containing benzo-oxy-alicyclic structure and use thereof 上海璃道医药科技有限公司 2020-12-04 CN 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
EP-2725013-B1 NOVEL HISTONE DEACETYLASE INHIBITOR OF BENZAMIDES AND USE THEREOF SINOPHARM A THINK PHARMACEUTICAL CO LTD (CN) 2018-08-22 EP disclosed
WO-2005068460-A1 ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2005-07-28 WO disclosed
WO-2005066147-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2005-07-21 WO disclosed
EP-1551818-A1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS Pharmacopeia Drug Discovery, Inc. (US) 2005-07-13 EP disclosed
EP-1539678-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1, 2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2005-06-15 EP disclosed
US-20040186142-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC- chemokine receptor ligands SCHERING CORPORATION PHARMACOPEIA, INC. 2004-09-23 US disclosed
US-20040147559-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2004-07-29 US disclosed
WO-2004033440-A1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2004-04-22 WO disclosed
WO-2004011418-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1, 2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2004-02-05 WO disclosed
US-5091533-A Treating allergies, cardiovascular disorders, inflammation MERCK FROSST CANADA, INC. (CA) 1992-02-25 US disclosed
EP-0447189-A1 5-Hydroxy-2,3-dihydrobenzofuran analogs as leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1991-09-18 EP 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-11136313-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G CA12 4819/4885CA9 4514/4885KDM4E 4558/4885
US-20040147559-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, CXCR1, ACKR3 CA12 1066/4885CA9 2322/4885KDM4E 4732/4885
US-20040186142-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC- chemokine receptor ligands CXCR1, CCR2, CX3CR1 CA12 2248/4885CA9 2030/4885KDM4E 4793/4885
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G CA12 4819/4885CA9 4514/4885KDM4E 4558/4885
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G CA12 4819/4885CA9 4514/4885KDM4E 4558/4885
US-10550106-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G CA12 4819/4885CA9 4514/4885KDM4E 4558/4885
US-20180291006-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G CA12 4819/4885CA9 4514/4885KDM4E 4558/4885

“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.