SCHEMBL2079281

SCHEMBL2079281

C[C@]12CC[C@@H](OS(=O)(=O)O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 9/20 0.80
GRIN2B Q13224 9/20 0.80
MAPK1 P28482 3/20 0.80
ALDH1A1 P00352 1/20 0.71
TP53 P04637 1/20 0.71
MAPT P10636 1/20 0.71
GRIN2D O15399 2/20 0.68
GRIN2A Q12879 2/20 0.68
GRIN2C Q14957 2/20 0.68
GPBAR1 Q8TDU6 4/20 0.65
LMNA P02545 3/20 0.65
CYP3A4 P08684 3/20 0.65
SHBG P04278 2/20 0.65
SERPINA6 P08185 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
HSD17B3 P37058 1/20 0.65
PMP22 Q01453 1/20 0.65
AKR1B10 O60218 1/20 0.65
G6PD P11413 1/20 0.65

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
SCHEMBL17006954 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL30421845 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL235684 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL235685 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL7869703 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL17006955 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL8581388 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL332917 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL136323 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL136324 1.00 GRIN1 (0.80) GRIN1GRIN2BMAPK1ALDH1A1TP53

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023083020-A1 USE OF SERUM METABOLIC MARKER FOR DETECTING EGFR MUTATION AND DETECTION SYSTEM 中山大学肿瘤防治中心(中山大学附属肿瘤医院、中山大学肿瘤研究所) 2023-05-19 WO claimed
EP-3502703-A1 METHOD FOR THE ASSESSMENT OF NAFLD Metanomics Health GmbH (DE) 2019-06-26 EP claimed
EP-4608876-A2 ENDOCYTIC AGENTS BioVentures, LLC (US) 2025-09-03 EP disclosed
US-20250166821-A1 METHODS FOR PREDICTION OF TREATMENT RESPONSE IN NON-ALCOHOLIC FATTY LIVER DISEASE SAGIMET BIOSCIENCES INC. 2025-05-22 US disclosed
US-12076377-B2 Variant sulfatase enzymes with enhanced properties INTEGRATED MICRO-CHROMATOGRAPHY SYSTEMS, INC. (US) 2024-09-03 US disclosed
WO-2024092274-A2 ENDOCYTIC AGENTS BIOVENTURES, LLC (US) 2024-05-02 WO disclosed
WO-2023083020-A1 USE OF SERUM METABOLIC MARKER FOR DETECTING EGFR MUTATION AND DETECTION SYSTEM 中山大学肿瘤防治中心(中山大学附属肿瘤医院、中山大学肿瘤研究所) 2023-05-19 WO disclosed
US-20230149519-A1 VARIANT SULFATASE ENZYMES WITH ENHANCED PROPERTIES INTEGRATED MICRO-CHROMATOGRAPHY SYSTEMS, INC. 2023-05-18 US disclosed
US-20230107049-A1 ANALYSIS OF MICROBIOME FOR DIAGNOSIS AND TREATING OF URINARY STONE DISEASE UNIVERSITY OF UTAH 2023-04-06 US disclosed
EP-3502703-A1 METHOD FOR THE ASSESSMENT OF NAFLD Metanomics Health GmbH (DE) 2019-06-26 EP disclosed
WO-2012049874-A1 BIOMARKER FOR DIAGNOSIS OF FATTY LIVER DISEASES, METHOD FOR MEASURING SAME, COMPUTER PROGRAM AND STORAGE MEDIUM ヒューマン・メタボローム・テクノロジーズ株式会社 (JP) 2012-04-19 WO disclosed
US-20020064883-A1 Measurement and quantification of 17 ketosteroid-sulfates as a biomarker of biological age UNIGEN PHARMACEUTICALS, INC. 2002-05-30 US disclosed
US-6326209-B1 STEROIDS USED FOR AGE DETERMINATION UNIVERA PHARMACEUTICALS, INC. 2001-12-04 US disclosed
US-5811248-A Atherosclerotic plaque specific antigens, antibodies thereto, and uses thereof CHARTER VENTURES (US) 1998-09-22 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 (1 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-20250166821-A1 METHODS FOR PREDICTION OF TREATMENT RESPONSE IN NON-ALCOHOLIC FATTY LIVER DISEASE ACACB, ACACA, ACLY GRIN1 3745/4885GRIN2B 4695/4885MAPK1 3525/4885

“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.