Sugi Predict

Sugi Predict / Compounds / SCHEMBL11319403

SCHEMBL11319403

SCHEMBL11319403

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.46
▸ MGAM O43451 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ PKM P14618 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ SOAT1 P35610 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 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
SCHEMBL10904454 0.83 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL232993 0.81 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8759255 0.81 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7353888 0.80 ATM (0.47) ALDH1A1LMNAHCAR2
SCHEMBL9796979 0.79 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9796701 0.79 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11266534 0.79 CYP1A2 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9796704 0.79 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2795301 0.78 ADRA2A (0.32) —
SCHEMBL9796754 0.78 NR1I2 (0.42) GAAMGAMSIMGAM2ALDH1A1

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
CN-113968786-B Process for preparing two methyl substituted 2-oxo-3-cyclopentene-1-carboxylate compounds and dicarboxylic acid ester compounds for preparing same 信越化学工业株式会社 2025-03-28 — — CN disclosed
WO-2024175907-A1 MACROCYCLIC ALPHA4BETA7 INTEGRIN INHIBITORS C4X DISCOVERY LIMITED (GB) 2024-08-29 — — WO disclosed
CN-114539125-B Synthesis method of paciclovir intermediate 杭州国瑞生物科技有限公司 2024-02-09 — — CN disclosed
WO-2023168827-A1 SYNTHESIS METHOD FOR PAXLOVID INTERMEDIATE 杭州国瑞生物科技有限公司 2023-09-14 — — WO disclosed
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 — — US disclosed
CN-114539125-A Synthetic method of pasiclovir intermediate 杭州国瑞生物科技有限公司 2022-05-27 — — CN disclosed
CN-108368107-B Fused heterocyclic compounds as S1P modulators 艾伯维公司 2021-11-26 — — CN disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 — — US disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 — — EP disclosed
US-10556907-B2 Fused heterocyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-11 — — US disclosed
EP-3341369-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Inc. (US) 2018-07-04 — — EP disclosed
WO-2017109095-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-29 — — WO disclosed
US-20170174672-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-22 — — US disclosed
US-20170174672-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-22 — — US disclosed
WO-2017036978-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS ABBVIE INC. (US) 2017-03-09 — — WO disclosed
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-02 — — US disclosed
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-02 — — US disclosed
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-02 — — US disclosed
US-4265769-A CORROSION RESISTANCE, ANTISCALING AGENTS CIBA-GEIGY CORPORATION (US) 1981-05-05 — — US disclosed
US-4208344-A CORROSION RESISTANCE, ANTISCALING AGENTS CIBA-GEIGY CORPORATION (US) 1980-06-17 — — 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 (5 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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 GAA 3192/4885MGAM 879/4885SI 603/4885
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS S1PR1, S1PR2, S1PR3 GAA 4173/4885MGAM 4855/4885SI 3904/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 GAA 3192/4885MGAM 879/4885SI 603/4885
US-20170174672-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS S1PR1, S1PR2, S1PR3 GAA 4534/4885MGAM 4832/4885SI 4109/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 GAA 4173/4885MGAM 4855/4885SI 3904/4885

“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.