Sugi Predict

Sugi Predict / Compounds / SCHEMBL166091

SCHEMBL166091

SCHEMBL166091

CCOC(C)=C(C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ALOX15 P16050 1/20 0.42
▸ MGAM O43451 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SI P14410 1/20 0.42
▸ MGAM2 Q2M2H8 1/20 0.42
▸ SOAT1 P35610 1/20 0.42
▸ HCAR2 Q8TDS4 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ GLO1 Q04760 1/20 0.38
▸ TSHR P16473 2/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL5515313 0.90 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL16418222 0.90 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL5515317 0.90 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL9794499 0.88 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL9794502 0.88 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL23574259 0.86 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL20476376 0.86 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL20476375 0.86 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL5010949 0.83 CES2 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL4519435 0.81 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0152319-B1 PROCESS FOR OBTAINING COMPOUNDS WITH AN ALKOXYACYLIDENE GROUP RHONE-POULENC CHIMIE (FR) 1987-07-22 — — EP claimed
EP-4289480-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2023-12-13 — — EP disclosed
CN-115215923-A Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-10-21 — — CN disclosed
CN-114007605-B Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-07-15 — — CN disclosed
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. (US AND US TERRITORIES) 2022-05-05 — — US disclosed
EP-3968983-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2022-03-23 — — EP disclosed
CN-114007605-A Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-02-01 — — CN disclosed
US-11208387-B2 Macrocyclic broad spectrum antibiotics GENENTECH, INC. (US) 2021-12-28 — — US disclosed
US-20200377463-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. 2020-12-03 — — US disclosed
WO-2020243155-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS GENENTECH, INC. (US) 2020-12-03 — — WO disclosed
WO-2008015416-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-02-07 — — WO disclosed
WO-2007050510-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 — — WO disclosed
EP-1539714-A4 8-HYDROXY-1-OXO-TETRAHYDROPYRROLOPYRAZINE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-04-25 — — EP disclosed
EP-1756114-A2 HIV INTEGRASE INHIBITORS Merck and Co., Inc. (US) 2007-02-28 — — EP disclosed
WO-2006125809-A1 PROCESS FOR PREPARING 4-[(1,6-DIHYDRO-6-OXO-2-PYRIMIDINYL)AMINO BENZONITRILE TIBOTEC PHARMACEUTICALS LTD (IE) 2006-11-30 — — WO disclosed
US-20050288293-A1 8-hydroxy-1-oxo-tetrahydropyrrolopyrazine compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2005-12-29 — — US disclosed
WO-2005110415-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-11-24 — — WO disclosed
WO-2005110414-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-11-24 — — WO disclosed
EP-1539714-A2 8-HYDROXY-1-OXO-TETRAHYDROPYRROLOPYRAZINE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2005-06-15 — — EP disclosed
WO-2004047725-A2 8-HYDROXY-1-OXO-TETRAHYDROPYRROLOPYRAZINE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO. INC. (US) 2004-06-10 — — WO 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 (4 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-20200377463-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, CLPP, PEPD ALDH1A1 2509/4885LMNA 590/4885HSD17B10 2254/4885
US-20220135528-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, CLPP, PEPD ALDH1A1 2509/4885LMNA 590/4885HSD17B10 2254/4885
US-11208387-B2 Macrocyclic broad spectrum antibiotics MRPL21, CLPP, PEPD ALDH1A1 2509/4885LMNA 590/4885HSD17B10 2254/4885
US-20050288293-A1 8-hydroxy-1-oxo-tetrahydropyrrolopyrazine compounds useful as hiv integrase inhibitors TYMP, TOP1, REV1 ALDH1A1 1715/4885LMNA 4496/4885HSD17B10 919/4885

“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.