Sugi Predict

Sugi Predict / Compounds / SCHEMBL2759481

SCHEMBL2759481

SCHEMBL2759481

CCOC(=O)NCCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.57
▸ CYP3A4 P08684 1/20 0.55
▸ TSHR P16473 4/20 0.55
▸ POLB P06746 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49

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
SCHEMBL22861375 0.91 ALDH1A1 (0.61) POLBALDH1A1
SCHEMBL22281944 0.89 TDP1 (0.60) TDP1CYP3A4TSHRPOLBALDH1A1
SCHEMBL11627618 0.88 ACHE (0.46) TDP1CYP3A4ALDH1A1
SCHEMBL12233401 0.85 TDP1 (0.67) TDP1TSHRPOLBALDH1A1CA12
SCHEMBL3470544 0.84 TDP1 (0.62) TDP1CYP3A4TSHRPOLBALDH1A1
SCHEMBL20123385 0.84 TDP1 (0.54) TDP1TSHRALDH1A1CA12CA1
SCHEMBL26578213 0.84 ACHE (0.58) TDP1TSHR
SCHEMBL8589907 0.84 ACHE (0.58) TDP1TSHR
SCHEMBL22281737 0.83 ALDH1A1 (0.53) POLBALDH1A1CA12CA1CA2
SCHEMBL22890934 0.83 HDAC2 (0.48) CYP3A4TSHRPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4272825-A2 MTORC MODULATORS AND USES THEREOF Aeovian Pharmaceuticals, Inc. (US) 2023-11-08 — — EP disclosed
US-11702429-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2023-07-18 — — US disclosed
US-20230013344-A1 MTORC MODULATORS AND USES THEREOF EVOTEC (FRANCE) SAS (FR) 2023-01-19 — — US disclosed
US-11021492-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2021-06-01 — — US disclosed
US-10980805-B2 Aza-pyridone compounds and uses thereof Janssen Biopharma, Inc. (US) 2021-04-20 — — US disclosed
EP-3778603-A1 7,8-DIHYDRO-3H-PYRAZINO[1,2-B]PYRIDAZINE-3,5(6H)-DIONE COMPOUNDS AND USES THEREOF Janssen BioPharma, Inc. (US) 2021-02-17 — — EP disclosed
US-20210002300-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2021-01-07 — — US disclosed
EP-3030566-B1 7,8-DIHYDRO-3H-PYRAZINO[1,2-B]PYRIDAZINE-3,5(6H)-DIONE COMPOUNDS AND USES THEREOF JANSSEN BIOPHARMA INC (US) 2020-07-08 — — EP disclosed
US-20200030328-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2020-01-30 — — US disclosed
EP-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 — — EP disclosed
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 — — US disclosed
US-9758515-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2017-09-12 — — US disclosed
US-20160228438-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. 2016-08-11 — — US disclosed
US-9328119-B2 AZA-pyridone compounds and uses thereof ALIOS BIOPHARMA, INC. (US) 2016-05-03 — — US disclosed
US-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2015-04-23 — — US disclosed
US-8987441-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2015-03-24 — — US disclosed
US-20150072982-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Pharmaceuticals, Inc. 2015-03-12 — — US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 — — US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 — — US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 — — 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 (11 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-20200030328-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK TDP1 965/4885CYP3A4 272/4885TSHR 2469/4885
US-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 TDP1 293/4885CYP3A4 397/4885TSHR 3454/4885
US-11702429-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR TDP1 3445/4885CYP3A4 4635/4885TSHR 3270/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 TDP1 701/4885CYP3A4 4595/4885TSHR 4130/4885
US-10980805-B2 Aza-pyridone compounds and uses thereof PNPO, ITPA, PDXK TDP1 965/4885CYP3A4 272/4885TSHR 2469/4885
US-20210002300-A1 MTORC MODULATORS AND USES THEREOF MTOR, RICTOR, RPTOR TDP1 3445/4885CYP3A4 4635/4885TSHR 3270/4885
US-20230013344-A1 MTORC MODULATORS AND USES THEREOF MTOR, RICTOR, RPTOR TDP1 3445/4885CYP3A4 4635/4885TSHR 3270/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 TDP1 293/4885CYP3A4 397/4885TSHR 3454/4885
US-20160228438-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK TDP1 965/4885CYP3A4 272/4885TSHR 2469/4885
US-20150072982-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK TDP1 965/4885CYP3A4 272/4885TSHR 2469/4885
US-11021492-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR TDP1 3445/4885CYP3A4 4635/4885TSHR 3270/4885

“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.