Sugi Predict

Sugi Predict / Compounds / SCHEMBL10045818

SCHEMBL10045818

SCHEMBL10045818

CC(C)(C)NCCC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.38
▸ MLYCD O95822 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CA12 O43570 3/20 0.33
▸ CA14 Q9ULX7 3/20 0.33
▸ CA2 P00918 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ CA1 P00915 1/20 0.33

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
SCHEMBL15498264 0.88 EPHX2 (0.42) EPHX2MLYCDTDP1DGAT1CYP2D6
SCHEMBL17222818 0.82 EPHX2 (0.40) EPHX2MLYCDTDP1DGAT1CYP2D6
SCHEMBL3485766 0.82 EPHX2 (0.40) EPHX2MLYCDTDP1DGAT1CYP2D6
SCHEMBL420456 0.82 TSHR (0.55) EPHX2GAAMEN1KMT2ACA12
SCHEMBL23910549 0.82 TDP1 (0.37) EPHX2MLYCDTDP1DGAT1CYP2D6
SCHEMBL948270 0.81 EPHX2 (0.37) EPHX2MLYCDTDP1DGAT1CYP2D6
SCHEMBL410766 0.80 EPHX2 (0.39) EPHX2MLYCDTDP1DGAT1CYP2D6
SCHEMBL16887385 0.80 EPHX2 (0.39) EPHX2MLYCDTDP1DGAT1CYP2D6
SCHEMBL10209390 0.78 EPHX2 (0.38) EPHX2MLYCDTDP1DGAT1CYP2D6
SCHEMBL10433180 0.78 EPHX2 (0.38) EPHX2MLYCDTDP1DGAT1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039846-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2023-02-09 — — US disclosed
CN-111676255-A Method for synthesizing 3-phenylaminopropylhydroxamic acid on line under catalysis of lipase 浙江农林大学 2020-09-18 — — CN disclosed
US-20190263802-A1 COMPOUNDS AND METHOD OF USE MOLECULAR SKIN THERAPEUTICS, INC. 2019-08-29 — — US disclosed
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 — — US disclosed
US-9452999-B2 Glucagon receptor modulators PFIZER INC. (US) 2016-09-27 — — US disclosed
EP-2673260-B1 GLUCAGON RECEPTOR MODULATOR PFIZER (US) 2016-08-17 — — EP disclosed
CN-103370306-B Glucagon Receptor Modulators PFIZER INC. (US) 2015-12-02 — — CN disclosed
US-20150266859-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2015-09-24 — — US disclosed
US-9073871-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-07-07 — — US disclosed
CN-104744370-A Glucagon receptor modulators PFIZER 2015-07-01 — — CN disclosed
US-8859591-B2 Glucagon receptor modulators PFIZER INC. (US) 2014-10-14 — — US disclosed
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 — — US disclosed
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 — — US disclosed
US-20130296355-A1 GLUCAGON RECEPTOR MODULATORS PFIZER (US) 2013-11-07 — — US disclosed
US-8507533-B2 Glucagon receptor modulators PFIZER INC. (US) 2013-08-13 — — US disclosed
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-08-09 — — US disclosed
EP-1641859-B1 BLOCKED POLYISOCYANATES BAYER MATERIALSCIENCE AG (DE) 2012-01-11 — — EP disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 — — US disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 — — US disclosed
EP-1641860-B1 BLOCKED POLYISOCYANATES BAYER MATERIALSCIENCE AG (DE) 2011-11-02 — — 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-20230039846-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 EPHX2 1687/4885MLYCD 883/4885TDP1 3045/4885
US-20150266859-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 EPHX2 3493/4885MLYCD 4192/4885TDP1 4769/4885
US-20190263802-A1 COMPOUNDS AND METHOD OF USE AIFM2, GPX4, GPX1 EPHX2 1618/4885MLYCD 1075/4885TDP1 3470/4885
US-20130296355-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 EPHX2 3493/4885MLYCD 4192/4885TDP1 4769/4885
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR5 EPHX2 1954/4885MLYCD 4372/4885TDP1 2717/4885
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 EPHX2 3493/4885MLYCD 4192/4885TDP1 4769/4885
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 EPHX2 3493/4885MLYCD 4192/4885TDP1 4769/4885

“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.