Sugi Predict

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SCHEMBL66399

SCHEMBL66399

CCCCC(C(=O)O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SLC1A2 P43004 2/20 0.40
▸ SLC1A1 P43005 2/20 0.40
▸ SLC1A3 P43003 1/20 0.40
▸ CTSK P43235 6/20 0.39
▸ CTSS P25774 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CA1 P00915 2/20 0.37
▸ MMP13 P45452 1/20 0.36
▸ GRIK1 P39086 2/20 0.36
▸ GRIK2 Q13002 2/20 0.36
▸ PDF Q9HBH1 1/20 0.34

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
SCHEMBL29696200 1.00 CA2 (0.42) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL66398 1.00 CA2 (0.42) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL31407436 0.95 GRIK1 (0.41) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL8460619 0.95 GRIK1 (0.41) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL25177958 0.94 GRIK1 (0.43) CA2SLC1A2SLC1A1MEN1KMT2A
SCHEMBL66573 0.90 HDAC1 (0.41) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL20826464 0.90 HDAC1 (0.41) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL67491 0.90 HDAC1 (0.41) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL27041531 0.87 MEN1 (0.37) MEN1GAAKMT2AMMP13
SCHEMBL27041525 0.87 MEN1 (0.37) MEN1GAAKMT2AMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto UNIV EMORY (US) 2021-02-25 — — US disclosed
US-20180318818-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto EMORY UNIVERSITY (US) 2018-11-08 — — US disclosed
CN-107935988-A Optionally substituted quinoline compounds 卫材R&D管理有限公司 2018-04-20 — — CN disclosed
EP-3057948-B1 SELECTIVELY SUBSTITUTED QUINOLINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2018-03-14 — — EP disclosed
CN-105636945-B Optionally substituted quinoline compounds 卫材R&D管理有限公司 2017-11-17 — — CN disclosed
US-9700881-B2 Heterocyclic coupling catalysts and methods related thereto EMORY UNIVERSITY (US) 2017-07-11 — — US disclosed
US-9663486-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-05-30 — — US disclosed
WO-2017070157-A1 REDOX DEHYDRATION COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2017-04-27 — — WO disclosed
US-20160243534-A1 Heterocyclic Coupling Catalysts and Methods Related Thereto EMORY UNIVERSITY (US) 2016-08-25 — — US disclosed
US-20160176841-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-06-23 — — US disclosed
CN-105636945-A Optionally substituted quinoline compounds EISAI R&D MAN CO LTD 2016-06-01 — — CN disclosed
WO-2015054337-A1 HETEROCYCLIC COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2015-04-16 — — WO disclosed
US-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 — — US disclosed
CN-102292319-A Novel substituted octahydrocyclopenta(C)pyrrol-4-amines as calcium channel blockers — 2011-12-21 — — CN disclosed
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 — — WO disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 — — US disclosed
EP-2367790-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-09-28 — — EP disclosed
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 — — WO disclosed
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 — — 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-20160176841-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 CA2 3834/4885MAPK1 1935/4885SLC1A2 1899/4885
US-20160243534-A1 Heterocyclic Coupling Catalysts and Methods Related Thereto HAT1, CBR3, CBR1 CA2 1796/4885MAPK1 3499/4885SLC1A2 2741/4885
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CA2 138/4885MAPK1 1472/4885SLC1A2 234/4885
US-20180318818-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SELENOI CA2 476/4885MAPK1 3124/4885SLC1A2 1498/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CA2 138/4885MAPK1 1472/4885SLC1A2 234/4885
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SQOR CA2 452/4885MAPK1 3296/4885SLC1A2 1614/4885

“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.