SCHEMBL6835329

SCHEMBL6835329

CCOC(=O)c1c(OC)c(NC(=O)OC(C)(C)C)cn1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.41
CNR2 P34972 1/20 0.37
ALOX15 P16050 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.34
KCNQ4 P56696 2/20 0.34
KCNQ5 Q9NR82 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL6835125 0.88 MKNK2 (0.36) MKNK2CNR2ALOX15CRHBPCRHR2
SCHEMBL6831525 0.85 ALDH1A1 (0.42) MKNK2CNR2ALOX15CRHBPCRHR2
SCHEMBL7669102 0.85 CRHBP (0.43) MKNK2CNR2CRHBPCRHR2ALDH1A1
SCHEMBL6834321 0.83 CNR2 (0.38) CNR2ALDH1A1LMNAMAPT
SCHEMBL14271848 0.82 APOBEC3A (0.40) CNR2KDM4EALDH1A1MAPTKCNQ4
SCHEMBL21868962 0.82 CNR2 (0.36) MKNK2CNR2ALOX15CRHBPCRHR2
SCHEMBL3556821 0.81 MEN1 (0.41) ALOX15KDM4EALDH1A1MAPTKMT2A
SCHEMBL7660400 0.79 RAB9A (0.52) ALDH1A1LMNAMAPTKMT2ANPC1
SCHEMBL4544314 0.79 CNR2 (0.39) CNR2ALOX15ALDH1A1LMNAMAPT
SCHEMBL7057039 0.76 CNR2 (0.46) CNR2ALDH1A1LMNAKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326729-B2 CXCR1 and CXCR2 chemokine antagonists SCHERING CORPORATION (US) 2008-02-05 US disclosed
US-20070248594-A1 CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS SCHERING CORPORATION 2007-10-25 US disclosed
US-20040014984-A1 Process for the preparation of derivatives of 4-amino-3-hydroxypyrrole-2-carboxylic acid PHARMACIA CORPORATION 2004-01-22 US disclosed
US-6632950-B2 By reducing the corresponding 4-nitro derivative; useful as monomers for polyamides capable of binding dsDNA (double stranded DNA) and hence in nucleotide sequence recognition PHARMACIA CORPORATION 2003-10-14 US disclosed
US-6472537-B1 POLYMERS FROM PRIMARY AMINE AND CARBOXYLIC ACID SUBSTITUTED PYROLE, HYDROXYPYROLE AND IMIDAZOLE MONOMERS AND HAVING 4-AMINOBUTYRIC ACID LINKER FORMING HAIRPIN TURNS AND OPTION-ALLY AMINO ACID RESIDUES; BINDING TO SPECIFIC CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-10-29 US disclosed
US-20020042522-A1 Process for the preparation of derivative of 4-amino-3-hydroxypyrrole-2-carboxylic acid PHARMACIA CORPORATION 2002-04-11 US disclosed
WO-2002004417-A1 PROCESS FOR THE PREPARATION OF DERIVATIVES OF 4-AMINO-3-HYDROXYPYRROLE-2-CARBOXYLIC ACID PHARMACIA CORPORAION (US) 2002-01-17 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 (3 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-20040014984-A1 Process for the preparation of derivatives of 4-amino-3-hydroxypyrrole-2-carboxylic acid POLL, LIG4, HPD MKNK2 2479/4885CNR2 4295/4885ALOX15 4534/4885
US-20070248594-A1 CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS CXCR1, CXCR2, CXCR5 MKNK2 2161/4885CNR2 176/4885ALOX15 1208/4885
US-20020042522-A1 Process for the preparation of derivative of 4-amino-3-hydroxypyrrole-2-carboxylic acid LIG4, POLL, HPD MKNK2 2498/4885CNR2 4300/4885ALOX15 4545/4885

“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.