SCHEMBL2279671

SCHEMBL2279671

CC(C)CC1=CC(=O)OC1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.35
ALOX5 P09917 4/20 0.35
HMGCR P04035 1/20 0.35
DAO P14920 1/20 0.32
CDC25A P30304 5/20 0.31
CDC25B P30305 5/20 0.31
PTGS1 P23219 3/20 0.31
LMNA P02545 2/20 0.31
CYP2C9 P11712 2/20 0.31
AKR1C3 P42330 2/20 0.31
CXCR1 P25024 2/20 0.31
CXCR2 P25025 2/20 0.31
PRKCA P17252 1/20 0.31
ALB P02768 1/20 0.31
ESR1 P03372 1/20 0.31
RARB P10826 1/20 0.31
ADRB3 P13945 1/20 0.31
NFKB1 P19838 1/20 0.31
HTR2A P28223 1/20 0.31
NR1I3 Q14994 1/20 0.31

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
SCHEMBL364135 0.78
SCHEMBL9482405 0.75
SCHEMBL364738 0.74 ALOX5 (0.41) PTGS2ALOX5HMGCRPRKCAPLA2G2A
SCHEMBL9812598 0.74
SCHEMBL9038940 0.72 NFE2L2 (0.39)
SCHEMBL24381615 0.71 APEX1 (0.34) PTGS2ALOX5HMGCR
SCHEMBL2225565 0.69 CDC25A (0.35) CDC25ACDC25B
SCHEMBL9343868 0.69 THRB (0.34) PTGS2ALOX5HMGCR
SCHEMBL7363051 0.69 ALOX5 (0.38) PTGS2ALOX5HMGCRPRKCAPLA2G2A
SCHEMBL1665531 0.69 ALOX5 (0.33) PTGS2ALOX5HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677632-A A method for preparing 5-hydroxy-4 isobutyl-2,5 dihydrofuran 2-one 珠海润都制药股份有限公司 2023-02-03 CN claimed
WO-2008127646-A2 TRANSAMINASE-BASED PROCESSES FOR PREPARATION OF PREGABALIN DSM IP ASSETS B.V. (NL) 2008-10-23 WO claimed
CN-115677632-A A method for preparing 5-hydroxy-4 isobutyl-2,5 dihydrofuran 2-one 珠海润都制药股份有限公司 2023-02-03 CN disclosed
CN-115677632-A A method for preparing 5-hydroxy-4 isobutyl-2,5 dihydrofuran 2-one 珠海润都制药股份有限公司 2023-02-03 CN disclosed
CN-115677632-A A method for preparing 5-hydroxy-4 isobutyl-2,5 dihydrofuran 2-one 珠海润都制药股份有限公司 2023-02-03 CN disclosed
EP-3216863-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2017-09-13 EP disclosed
EP-2978748-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2017-05-10 EP disclosed
US-20160024540-A1 Process and Intermediates for the Preparation of Pregabalin PFIZER INC 2016-01-28 US disclosed
US-20160024540-A1 Process and Intermediates for the Preparation of Pregabalin PFIZER INC 2016-01-28 US disclosed
WO-2014155291-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2014-10-02 WO disclosed
US-8716520-B2 Method of resolution of (RS)- 1,1′-BI-2-naphthol for obtaining enantiomeric pure I.E. (S)-(−)-1,1′-BI-2-naphthol and/or (R)-(+)-1,1′-BI-2-naphthol via co-crystal formation with optically active derivatives of γ-amino acids LUPIN LIMITED (IN) 2014-05-06 US disclosed
US-8716520-B2 Method of resolution of (RS)- 1,1′-BI-2-naphthol for obtaining enantiomeric pure I.E. (S)-(−)-1,1′-BI-2-naphthol and/or (R)-(+)-1,1′-BI-2-naphthol via co-crystal formation with optically active derivatives of γ-amino acids LUPIN LIMITED (IN) 2014-05-06 US disclosed
US-20120316361-A1 METHOD OF RESOLUTION OF (RS)- 1,1'-BI-2-NAPHTHOL FOR OBTAINING ENANTIOMERIC PURE I.E. (S)-(-)-1,1'-BI-2-NAPHTHOL AND/OR (R)-(+)-1,1'-BI-2-NAPHTHOL VIA CO-CRYSTAL FORMATION WITH OPTICALLY ACTIVE DERIVATIVES OF y -AMINO ACIDS LUPIN LIMITED (IN) 2012-12-13 US disclosed
US-20120316361-A1 METHOD OF RESOLUTION OF (RS)- 1,1'-BI-2-NAPHTHOL FOR OBTAINING ENANTIOMERIC PURE I.E. (S)-(-)-1,1'-BI-2-NAPHTHOL AND/OR (R)-(+)-1,1'-BI-2-NAPHTHOL VIA CO-CRYSTAL FORMATION WITH OPTICALLY ACTIVE DERIVATIVES OF y -AMINO ACIDS LUPIN LIMITED (IN) 2012-12-13 US disclosed
WO-2012007814-A2 THREE COMPONENT CO-CRYSTAL FORMATION BETWEEN DIASTEREOMERIC MIXTURES OF 3-ALKYL-4-((S)-1'PHENYLETHYLAMINO) BUTANOIC ACID AND OPTICALLY PURE 1, 1'-BI-2-NAPHTHOL LUPIN LIMITED (IN) 2012-01-19 WO disclosed
WO-2011086565-A1 METHOD FOR PREPARATION OF ENANTIOMERICALLY ENRICHED AND/OR RACEMIC GAMMA-AMINO ACIDS LUPIN LIMITED (IN) 2011-07-21 WO disclosed
WO-2011086565-A1 METHOD FOR PREPARATION OF ENANTIOMERICALLY ENRICHED AND/OR RACEMIC GAMMA-AMINO ACIDS LUPIN LIMITED (IN) 2011-07-21 WO disclosed
WO-2008127646-A2 TRANSAMINASE-BASED PROCESSES FOR PREPARATION OF PREGABALIN DSM IP ASSETS B.V. (NL) 2008-10-23 WO disclosed
WO-2008127646-A2 TRANSAMINASE-BASED PROCESSES FOR PREPARATION OF PREGABALIN DSM IP ASSETS B.V. (NL) 2008-10-23 WO 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-20160024540-A1 Process and Intermediates for the Preparation of Pregabalin GABRE, GABRG1, GABRG2 PTGS2 401/4885ALOX5 1545/4885HMGCR 207/4885
US-20120316361-A1 METHOD OF RESOLUTION OF (RS)- 1,1'-BI-2-NAPHTHOL FOR OBTAINING ENANTIOMERIC PURE I.E. (S)-(-)-1,1'-BI-2-NAPHTHOL AND/OR (R)-(+)-1,1'-BI-2-NAPHTHOL VIA CO-CRYSTAL FORMATION WITH OPTICALLY ACTIVE DERIVATIVES OF y -AMINO ACIDS RRS1, RER1, QTRT1 PTGS2 3356/4885ALOX5 1787/4885HMGCR 880/4885

“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.