Sugi Predict

Sugi Predict / Compounds / SCHEMBL2597779

SCHEMBL2597779

SCHEMBL2597779

CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ACACB O00763 1/20 0.36
▸ HDAC3 O15379 5/20 0.36
▸ HDAC11 Q96DB2 5/20 0.36
▸ HDAC6 Q9UBN7 5/20 0.36
▸ HDAC1 Q13547 4/20 0.36
▸ HDAC2 Q92769 4/20 0.36
▸ HDAC10 Q969S8 4/20 0.36
▸ HDAC8 Q9BY41 4/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 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
SCHEMBL2597780 1.00 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL20560032 1.00 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL31199170 0.94 DDOST (0.39) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL31199175 0.94 DDOST (0.39) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL25834354 0.89 POLB (0.42) SMN1; SMN2POLBMEN1KMT2AACACB
SCHEMBL14943195 0.89 POLB (0.42) SMN1; SMN2POLBMEN1KMT2AACACB
SCHEMBL31199165 0.88 POLB (0.38) SMN1; SMN2POLBMEN1KMT2AACACB
SCHEMBL23513480 0.87 DDOST (0.43) SMN1; SMN2POLBMEN1KMT2AACACB
SCHEMBL11735638 0.87 DDOST (0.43) SMN1; SMN2POLBMEN1KMT2AACACB
SCHEMBL19359293 0.87 DDOST (0.43) SMN1; SMN2POLBMEN1KMT2AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12439941-B2 Flavor composition and edible compositions containing same MARS, INCORPORATED (US) 2025-10-14 — — US claimed
US-20240373884-A1 FLAVOR COMPOSITION AND EDIBLE COMPOSITIONS CONTAINING SAME MARS, INCORPORATED (US) 2024-11-14 — — US claimed
EP-3805756-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT Metabolon, Inc. (US) 2021-04-14 — — EP claimed
CN-106537145-B Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2020-08-25 — — CN claimed
EP-3129909-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT Metabolon, Inc. (US) 2017-02-15 — — EP claimed
WO-2015157407-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT METABOLON, INC. (US) 2015-10-15 — — WO claimed
US-20260144829-A1 SYNBIOTIC COMPOSITION, METABOLITES, AND METHOD OF PREVENTING AND TREATING OBESITY-RELATED DISEASE Hsu, Cheng-Chih (TW) 2026-05-28 — — US disclosed
US-20260000096-A1 FLAVOR COMPOSITION AND EDIBLE COMPOSITIONS CONTAINING SAME MARS, INCORPORATED (US) 2026-01-01 — — US disclosed
US-12439941-B2 Flavor composition and edible compositions containing same MARS, INCORPORATED (US) 2025-10-14 — — US disclosed
US-20250268291-A1 FLAVOR COMPOSITIONS AND SCREENING METHODS FOR IDENTIFYING THE SAME MARS, INCORPORATED (US) 2025-08-28 — — US disclosed
CN-120166925-A Synbiotic composition, metabolite and use thereof for preventing and treating obesity-related diseases 徐丞志 2025-06-17 — — CN disclosed
US-12317911-B2 Flavor compositions and screening methods for identifying the same MARS, INCORPORATED (US) 2025-06-03 — — US disclosed
US-12285037-B2 Flavor composition and edible compositions containing same MARS, INCORPORATED (US) 2025-04-29 — — US disclosed
WO-2013188333-A1 BIOMARKERS RELATED TO NEPHROTOXICITY AND METHODS USING THE SAME METABOLON, INC. (US) 2013-12-19 — — WO disclosed
US-20130217647-A1 Biomarkers for Prostate Cancer and Methods Using the Same METABOLON, INC. (US) 2013-08-22 — — US disclosed
WO-2013070839-A1 BIOMARKERS FOR BLADDER CANCER AND METHODS USING THE SAME METABOLON, INC. (US) 2013-05-16 — — WO disclosed
WO-2013070962-A1 METHODS AND USES FOR METABOLIC PROFILING FOR CLOSTRIDIUM DIFFICILE INFECTION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-16 — — WO disclosed
US-20130115649-A1 Methods and Reagents for Metabolomics and Histology in a Biological Sample and a Kit for the Same METABOLON, INC. 2013-05-09 — — US disclosed
WO-2011146683-A1 METHODS AND REAGENTS FOR METABOLOMICS AND HISTOLOGY IN A BIOLOGICAL SAMPLE AND A KIT FOR THE SAME METABOLON, INC. (US) 2011-11-24 — — WO disclosed
US-4053588-A PYROGLUTAMIC ACID AMIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-10-11 — — 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 (2 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-20260144829-A1 SYNBIOTIC COMPOSITION, METABOLITES, AND METHOD OF PREVENTING AND TREATING OBESITY-RELATED DISEASE MLN, COMT, MLEC SMN1; SMN2 1106/4885ALDH1A1 2633/4885POLB 4629/4885
US-20260000096-A1 FLAVOR COMPOSITION AND EDIBLE COMPOSITIONS CONTAINING SAME SLC6A19, QPCTL, PTMS SMN1; SMN2 4160/4885ALDH1A1 4167/4885POLB 4776/4885

“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.