Sugi Predict

Sugi Predict / Compounds / SCHEMBL6840349

SCHEMBL6840349

SCHEMBL6840349

COC(=O)C(C)(C)NC(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.39
▸ KCNN4 O15554 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL12761589 0.81 TSHR (0.39) SMN1; SMN2
SCHEMBL12871172 0.81 DGAT1 (0.46) DGAT1CA12CA1CA2
SCHEMBL12761586 0.78 MMP8 (0.49) MMP8ALDH1A1
SCHEMBL16490068 0.76 MMP8 (0.33) MMP8
SCHEMBL12761590 0.76 TSHR (0.39) MMP8SMN1; SMN2ALDH1A1
SCHEMBL12276356 0.76 POLB (0.31) —
SCHEMBL19088363 0.75 CA1 (0.38) DGAT1CA12CA1CA2MMP1
SCHEMBL12761587 0.74 MMP8 (0.35) CA1CA2MMP8ALDH1A1
SCHEMBL412680 0.74 — —
SCHEMBL12766204 0.74 POLB (0.30) —

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
US-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION Jubilant Prodel LLC 2021-06-17 — — US disclosed
CN-106170479-B Acetenyl-imidazolidine-2,4-dione derivative as MGLUR4 regulator 豪夫迈·罗氏有限公司 2019-02-12 — — CN disclosed
EP-3092219-B1 ETHYNYL-IMIDAZOLIN-2,4-DIONE DERIVATIVES AS MGLUR4 MODULATORS HOFFMANN LA ROCHE (CH) 2018-09-19 — — EP disclosed
US-9695128-B2 Ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2017-07-04 — — US disclosed
US-20170008854-A1 ETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-01-12 — — US disclosed
CN-106170479-A Acetenyl imidazolidine 2,4 derovatives as MGLUR4 regulator 豪夫迈·罗氏有限公司 2016-11-30 — — CN disclosed
EP-3092219-A1 ETHYNYL-IMIDAZOLIN-2,4-DIONE DERIVATIVES AS MGLUR4 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-11-16 — — EP disclosed
WO-2015104271-A1 ETHYNYL-IMIDAZOLIN-2,4-DIONE DERIVATIVES AS MGLUR4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-07-16 — — WO disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 — — US disclosed
US-8436028-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP (US) 2013-05-07 — — US disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 — — US disclosed
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 — — WO disclosed
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2011-03-24 — — US disclosed
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2011-03-24 — — US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 — — US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 — — US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 — — US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 — — US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 — — US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 — — 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 (6 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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION PDCD1, CD274, PDCD1LG2 DGAT1 2839/4885KCNN4 4764/4885CA12 4353/4885
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, RNGTT, SLC29A1 DGAT1 1518/4885KCNN4 4409/4885CA12 3595/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E DGAT1 3700/4885KCNN4 2585/4885CA12 4824/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A DGAT1 1781/4885KCNN4 3848/4885CA12 4135/4885
US-20170008854-A1 ETHYNYL DERIVATIVES SNCA, NLN, ATXN2 DGAT1 2811/4885KCNN4 3279/4885CA12 1967/4885
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP DGAT1 129/4885KCNN4 4363/4885CA12 4651/4885

“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.