SCHEMBL3093415

SCHEMBL3093415

Cc1ccc([C@@H](C)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.63
PTGS1 P23219 8/20 0.59
AKR1C3 P42330 8/20 0.59
AKR1C2 P52895 7/20 0.59
CYP2C9 P11712 4/20 0.59
LMNA P02545 3/20 0.59
CXCR1 P25024 2/20 0.59
CXCR2 P25025 2/20 0.59
SLC22A6 Q4U2R8 2/20 0.59
TSHR P16473 2/20 0.59
ALB P02768 1/20 0.59
ESR1 P03372 1/20 0.59
ALOX5 P09917 1/20 0.59
RARB P10826 1/20 0.59
ADRB3 P13945 1/20 0.59
NFKB1 P19838 1/20 0.59
HTR2A P28223 1/20 0.59
NR1I3 Q14994 1/20 0.59
CXCL8 P10145 1/20 0.59
BLM P54132 1/20 0.59

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
SCHEMBL597882 1.00 PTGS2 (0.63) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL349312 1.00 PTGS2 (0.63) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
Water SCHEMBL30850045 0.98 PTGS2 (0.61) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL18205083 0.98 PTGS2 (0.61) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
Hydrochloric Acid SCHEMBL5846561 0.98 PTGS2 (0.61) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL22228509 0.94 PTGS2 (0.68) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
Formic Acid SCHEMBL30236894 0.92 PTGS2 (0.55) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL59197 0.90 PTGS2 (0.74) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
Water SCHEMBL30850051 0.88 PTGS2 (0.52) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
Trifluoroacetic Acid SCHEMBL30237172 0.88 AKR1C3 (0.57) PTGS2PTGS1AKR1C3AKR1C2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111349681-A Method for splitting 2- (4-methylphenyl) propionic acid enantiomer by using immobilized lipase to catalyze ester hydrolysis kinetics 湖南理工学院 2020-06-30 CN claimed
EP-4249470-A1 METHOD FOR PREPARING ALPHA-AMINO ACIDS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2023-09-27 EP disclosed
CN-112526013-B Method for detecting concentration of related substances in ibuprofen medicament by using ultra-high liquid chromatography 人福普克药业(武汉)有限公司 2022-09-06 CN disclosed
CN-108642119-B Method for resolution of 2- (4-methylphenyl) propionic acid enantiomer by stereoselective enzyme catalytic esterification 湖南理工学院 2021-09-07 CN disclosed
CN-111349681-A Method for splitting 2- (4-methylphenyl) propionic acid enantiomer by using immobilized lipase to catalyze ester hydrolysis kinetics 湖南理工学院 2020-06-30 CN disclosed
EP-2251316-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID TOKYO UNIV OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2018-02-21 EP disclosed
WO-2014198594-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 WO disclosed
US-20140135520-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER Tokyo University of Science Educational Foundation Administration Organization (JP) 2014-05-15 US disclosed
EP-2719679-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2014-04-16 EP disclosed
EP-2251316-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2010-11-17 EP disclosed
US-20100234610-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2010-09-16 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-20100234610-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ACADM, ADH5, ALDH7A1 PTGS2 1254/4885PTGS1 820/4885AKR1C3 462/4885
US-20140135520-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER ALDH1A2, ADH1C, ADH1A PTGS2 2021/4885PTGS1 2304/4885AKR1C3 130/4885

“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.