SCHEMBL4058682

SCHEMBL4058682

CON=C(CC(C)=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
CTBP2 P56545 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL4058680 1.00 GAA (0.42) GAAMGAMSIMGAM2HTT
SCHEMBL15263974 1.00 GAA (0.42) GAAMGAMSIMGAM2HTT
SCHEMBL12528580 0.84 MGAM (0.44) GAAMGAMSIMGAM2HTT
SCHEMBL18282069 0.82 MGAM (0.42) GAAMGAMSIMGAM2HTT
SCHEMBL16259086 0.82 MGAM (0.42) GAAMGAMSIMGAM2HTT
SCHEMBL8500768 0.82 MGAM (0.42) GAAMGAMSIMGAM2HTT
SCHEMBL7231561 0.78 TDP1 (0.36)
SCHEMBL20771269 0.78 TDP1 (0.36)
SCHEMBL1318083 0.76
SCHEMBL8520258 0.76

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008065-A Glycyrrhetinic acid derivatives for treating hyperkalemia 阿德利克斯股份有限公司 2022-02-01 CN disclosed
EP-3731840-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF Orfan Biotech Inc. (US) 2020-11-04 EP disclosed
US-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-03-05 US disclosed
CN-110023304-A Calpain regulator and its therapeutical uses 布莱德治疗公司 2019-07-16 CN disclosed
WO-2018157190-A9 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-10-25 WO disclosed
WO-2018157190-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-09-07 WO disclosed
US-9567302-B2 Carbamate compounds and of making and using same ABIDE THERAPEUTICS, INC. (US) 2017-02-14 US disclosed
US-20150080364-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
EP-2828253-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2015-01-28 EP disclosed
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA (US) 2014-11-27 US disclosed
EP-2739144-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Alzheimer's Institute of America, Inc. (US) 2014-06-11 EP disclosed
WO-2013142307-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME ABIDE THERAPEUTICS (US) 2013-09-26 WO disclosed
WO-2012177782-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 WO disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 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 (4 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-20090270361-A1 Substituted pyrazole derivatives and use thereof CBR3, CBR1, NOX5 GAA 3013/4885MGAM 4448/4885SI 4538/4885
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD4, CD47 GAA 1202/4885MGAM 1858/4885SI 724/4885
US-20150080364-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME CPS1, FABP4, VHL GAA 1229/4885MGAM 2068/4885SI 501/4885
US-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF LOX, DAO, AADAC GAA 439/4885MGAM 1374/4885SI 2330/4885

“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.