Sugi Predict

Sugi Predict / Compounds / SCHEMBL3336259

SCHEMBL3336259

SCHEMBL3336259

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ ALOX15 P16050 4/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ SOAT1 P35610 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HCAR2 Q8TDS4 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
SCHEMBL13319194 1.00 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3332151 1.00 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10405814 0.83 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11358832 0.81 GAA (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13435847 0.81 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9796702 0.81 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4967459 0.80 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3963404 0.79 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3963396 0.79 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3963398 0.79 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116268424-A Precursor compounds of retinoids providing vitamin A5 pathway and uses thereof 德布勒森大学 2023-06-23 — — CN disclosed
CN-110831599-B Compounds, compositions and methods for cancer treatment 布罗德研究所股份有限公司 2023-03-28 — — CN disclosed
CN-110337430-B Precursor compounds of retinoids providing the vitamin A5 pathway and uses thereof 德布勒森大学 2023-02-03 — — CN disclosed
CN-108368107-B Fused heterocyclic compounds as S1P modulators 艾伯维公司 2021-11-26 — — CN disclosed
US-20210147381-A1 1,2,3,4-SUBSTITUTED QUINOLINE COMPOUNDS AS SIP MODULATORS ABBVIE DEUTSCHLAND (DE) 2021-05-20 — — US disclosed
EP-3655392-A1 1,2,3,4-SUBSTITUTED QUINOLINE COMPOUNDS AS S1P MODULATORS Abbvie Deutschland GmbH & Co. KG (DE) 2020-05-27 — — EP disclosed
CN-110831599-A Compounds, compositions and methods for cancer treatment 布罗德研究所股份有限公司 2020-02-21 — — CN disclosed
US-20200055817-A1 SPIRO-COMPOUNDS AS SIP MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-20 — — US disclosed
US-10556907-B2 Fused heterocyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-11 — — US disclosed
EP-3535244-A1 SPIRO-COMPOUNDS AS S1P MODULATORS Abbvie Deutschland GmbH & Co. KG (DE) 2019-09-11 — — EP disclosed
US-20100135977-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-06-03 — — US disclosed
US-20080249042-A1 cultured prokaryotic or eukaryotic cell transformed or transfected with expression construct; vectors; treating retinal disease or blindness UNIVERSITY OF WASHINGTON (US) 2008-10-09 — — US disclosed
WO-2008063768-A2 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES CASE WESTERN RESERVE UNIVERSITY (US) 2008-05-29 — — WO disclosed
EP-1797176-A2 ALL-TRANS-RETINOL : ALL-TRANS-13,14-DIHYDRORETINOL SATURASE AND METHODS OF ITS USE University of Washington (US) 2007-06-20 — — EP disclosed
WO-2006029398-A2 ALL-TRANS-RETINOL : ALL-TRANS-13,14-DIHYDRORETINOL SATURASE AND METHODS OF ITS USE UNIVERSITY OF WASHINGTON (US) 2006-03-16 — — WO disclosed
EP-0362941-B1 4-Methyl and 4-ethyl substituted pyrrolidin-2-ones MERCK SHARP & DOHME (GB) 1995-12-20 — — EP disclosed
US-4925867-A MUSCLE RELAXANTS, PREVENTION OF NEURODEGENERATIVE DISEASES MERCK SHARP & DOHME LTD. (GB) 1990-05-15 — — US disclosed
EP-0362941-A2 4-Methyl and 4-ethyl substituted pyrrolidin-2-ones MERCK SHARP & DOHME LTD. (GB) 1990-04-11 — — EP disclosed
US-4570021-A UNSYMMETRICAL KETONES FROM SYMMETRICAL KETONES SDS BIOTECH CORPORATION (US) 1986-02-11 — — US disclosed
US-4560401-A USING 3-ALKYL-2-CARBOXYAZETIDINE SHELL OIL COMPANY (US) 1985-12-24 — — 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 (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-20100135977-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES CYP27A1, HSD17B13, GPR119 MGAM 1669/4885GAA 340/4885SI 912/4885
US-20210147381-A1 1,2,3,4-SUBSTITUTED QUINOLINE COMPOUNDS AS SIP MODULATORS S1PR1, S1PR3, S1PR2 MGAM 4855/4885GAA 3611/4885SI 3766/4885
US-20200055817-A1 SPIRO-COMPOUNDS AS SIP MODULATORS S1PR1, STIM1, GIPR MGAM 4524/4885GAA 2647/4885SI 967/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 MGAM 4855/4885GAA 4173/4885SI 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.