SCHEMBL12431128

SCHEMBL12431128

CC(C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.69
▸ AKR1C3 P42330 13/20 0.67
▸ AKR1C2 P52895 13/20 0.67
▸ PTGS2 P35354 4/20 0.67
▸ PTGS1 P23219 3/20 0.67
▸ CDC42 P60953 1/20 0.67
▸ RAC1 P63000 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ SLC22A6 Q4U2R8 1/20 0.67
▸ UGT2B7 P16662 1/20 0.60

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
SCHEMBL10025981 1.00 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL1217681 1.00 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL4679446 1.00 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL30717241 1.00 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
Hydrochloric Acid SCHEMBL27401798 0.98 AKR1B1 (0.67) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL503391 0.93 AKR1B1 (0.61) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11470486 0.90 AKR1C3 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
Naproxen SCHEMBL23753934 0.89 AKR1C3 (0.88) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
Ammonia Solution, Strong SCHEMBL11721423 0.89 AKR1C3 (0.67) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL15695558 0.89 UGT2B7 (0.60) AKR1B1AKR1C3AKR1C2PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107935874-A A kind of synthetic method of (R) 3 amino 3 (2 naphthyl) propionic acid 康化(上海)新药研发有限公司 2018-04-20 — — CN claimed
CN-119320366-A Substituted naphthalene methyl oxadiazole-aniline compound and application thereof 中国医学科学院药物研究所 2025-01-17 — — CN disclosed
US-20240409598-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR JANSSEN BIOTECH INC (US) 2024-12-12 — — US disclosed
EP-4249470-B1 METHOD FOR PREPARING ALPHA-AMINO ACIDS PHILIPPS UNIV MARBURG (DE) 2024-11-13 — — EP disclosed
US-20240352073-A1 BICYCLIC PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR JANSSEN BIOTECH INC (US) 2024-10-24 — — US disclosed
US-20240200049-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR MAKING POLYPEPTIDES WITH MANY INSTANCES OF NONSTANDARD AMINO ACIDS YALE UNIVERSITY 2024-06-20 — — US disclosed
EP-4332089-A1 METHOD FOR PREPARING AMINO ACIDS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2024-03-06 — — EP disclosed
WO-2024010529-A1 PRODUCTION OF ENANTIOPURE ALCOHOLS, AMINES AND ACIDS FROM RACEMIC EPOXIDES BY CASCADE BIOTRANSFORMATION INVOLVING EPOXIDE ISOMERIZATION AND DYNAMIC KINETIC RESOLUTION NATIONAL UNIVERSITY OF SINGAPORE (SG) 2024-01-11 — — WO disclosed
WO-2023191721-A2 PRODUCTION OF ENANTIOPURE ALCOHOLS, AMINES AND ACIDS FROM ALKENES BY CASCADE BIOTRANSFORMATION INVOLVING 1,2-METHYL SHIFT NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-10-05 — — WO disclosed
EP-4249470-A1 METHOD FOR PREPARING ALPHA-AMINO ACIDS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2023-09-27 — — EP disclosed
WO-2015120287-A2 COMPOSITIONS AND METHODS OF USE THEREOF FOR MAKING POLYPEPTIDES WITH MANY INSTANCES OF NONSTANDARD AMINO ACIDS YALE UNIVERSITY (US) 2015-08-13 — — WO disclosed
US-7981645-B2 Enzymatic asymmetric decarboxylation of disubstituted malonic acids BIOSPRING GMBH (DE) 2011-07-19 — — US disclosed
CN-102083793-A Protease inhibitors AMBRILIA BIOPHARMA INC 2011-06-01 — — CN disclosed
US-20100144010-A1 Enzymatic Asymmetric Decarboxylation of Disubstituted Malonic Acids BIOSPRING GMBH (DE) 2010-06-10 — — US disclosed
WO-2009055002-A1 COMBINED INHIBITORS OF CYCLOOXYGENASE AND SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) (VASCULAR ADHESION PROTEIN, VAP-1) LA JOLLA PHARMACEUTICAL COMPANY (US) 2009-04-30 — — WO disclosed
CN-101056635-A Niacin receptor agonists, compositions containing such compounds and methods of treatment MERCK & CO INC (US) 2007-10-17 — — CN disclosed
CN-1128874-C Rhodococcus sp.D12 and its culture method and application SHANGHAI INST ORGANIC CHEM (CN) 2003-11-26 — — CN disclosed
CN-1354740-A Pharmaceutical compounds NICOX SA (FR) 2002-06-19 — — CN disclosed
CN-1291648-A Rhodococcus sp.D12 and its culture method and application SHANGHAI INST ORGANIC CHEM (CN) 2001-04-18 — — CN disclosed
CN-1251523-A Sulfonamide derivatives LILLY CO ELI (US) 2000-04-26 — — CN 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-20240352073-A1 BICYCLIC PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR IL23R, IL1RN, IL17A AKR1B1 2109/4885AKR1C3 562/4885AKR1C2 1141/4885
US-20240409598-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR IL23R, IL1RN, IL36G AKR1B1 1695/4885AKR1C3 587/4885AKR1C2 1487/4885

“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.

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