Sugi Predict

Sugi Predict / Compounds / SCHEMBL4576754

SCHEMBL4576754

SCHEMBL4576754

CCOC(=O)C=C(N)C(=O)OCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.63
▸ ALOX15 P16050 1/20 0.46
▸ HCAR2 Q8TDS4 1/20 0.43
▸ GLO1 Q04760 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP2D6 P10635 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ SOAT1 P35610 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL348236 1.00 NPSR1 (0.63) NPSR1ALOX15HCAR2GLO1ALDH1A1
SCHEMBL8579928 1.00 NPSR1 (0.63) NPSR1ALOX15HCAR2GLO1ALDH1A1
SCHEMBL10414395 0.88 NPSR1 (0.48) NPSR1ALOX15HCAR2GLO1ALDH1A1
SCHEMBL10414396 0.88 NPSR1 (0.48) NPSR1ALOX15HCAR2GLO1ALDH1A1
SCHEMBL10414397 0.88 NPSR1 (0.53) NPSR1ALOX15HCAR2GLO1ALDH1A1
SCHEMBL20924937 0.88 NPSR1 (0.53) NPSR1ALOX15HCAR2GLO1ALDH1A1
SCHEMBL10414398 0.88 NPSR1 (0.53) NPSR1ALOX15HCAR2GLO1ALDH1A1
SCHEMBL20924935 0.84 NPSR1 (0.54) NPSR1ALOX15HCAR2GLO1ALDH1A1
SCHEMBL17591872 0.83 NPSR1 (0.47) NPSR1ALOX15HCAR2GLO1ALDH1A1
SCHEMBL16019090 0.83 NPSR1 (0.47) NPSR1ALOX15HCAR2GLO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452094-A2 A method of the preparation of N-hydroxy aspartic acid derivate HOECHST CELANESE CORPORATION (US) 1991-10-16 — — EP claimed
JP-6056787-A — — None — — JP disclosed
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 — — US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 — — US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 — — EP disclosed
US-20080234231-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-25 — — US disclosed
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 — — US disclosed
US-20080214503-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-04 — — US disclosed
US-20080194523-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 — — US disclosed
EP-1910355-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 — — EP disclosed
US-5227491-A Process for the preparation of dialkyl 2,3-pyridinedicarboxylate and derivatives thereof from an α,β-unsaturated oxime and an aminobutenedioate AMERICAN CYANAMID COMPANY (US) 1993-07-13 — — US disclosed
US-5208342-A Hydrolysis and dehydration HOECHST CELANESE CORPORATION (US) 1993-05-04 — — US disclosed
EP-0511446-A2 Process for preparing pyridinecarboxylic acid derivatives HOECHST CELANESE CORPORATION (US) 1992-11-04 — — EP disclosed
EP-0299362-B1 PROCESS FOR PREPARING PYRIDINE-2,3- DICARBOXYLIC ACID COMPOUNDS Daiso Co., Ltd. (JP) 1991-12-04 — — EP disclosed
EP-0452094-A2 A method of the preparation of N-hydroxy aspartic acid derivate HOECHST CELANESE CORPORATION (US) 1991-10-16 — — EP disclosed
EP-0415767-A2 Process for preparing pyridine carboxylic acid derivatives HOECHST CELANESE CORPORATION (US) 1991-03-06 — — EP disclosed
US-4973695-A FROM UNSATURATED ALDEHYDE OR KETONE WITH OXODIESTER SUGAI CHEMICAL IND. CO., LTD. (JP) 1990-11-27 — — US disclosed
EP-0383320-A1 A process for preparation of enantiomerically pure polysubstituted 1,4-dihydropyridines BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1990-08-22 — — EP disclosed
US-4948896-A REACTING AN ENONE AND AN AMINODIESTER DAISO CO., LTD. (JP) 1990-08-14 — — US disclosed
EP-0299362-A1 Process for preparing pyridine-2,3- dicarboxylic acid compounds Daiso Co., Ltd. (JP) 1989-01-18 — — 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 (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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 NPSR1 4539/4885ALOX15 4643/4885HCAR2 2140/4885
US-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 NPSR1 4756/4885ALOX15 3939/4885HCAR2 3706/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 NPSR1 4734/4885ALOX15 3877/4885HCAR2 3549/4885
US-20080214503-A1 Hiv Integrase Inhibitors SAMHD1, ACIN1, API5 NPSR1 4818/4885ALOX15 4268/4885HCAR2 3746/4885
US-20080194523-A1 Hiv Integrase Inhibitors ING2, API5, SAMHD1 NPSR1 4749/4885ALOX15 3934/4885HCAR2 3572/4885
US-20080234231-A1 Hiv Integrase Inhibitors ING2, API5, SAMHD1 NPSR1 4749/4885ALOX15 3934/4885HCAR2 3572/4885

“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.