SCHEMBL6297501

SCHEMBL6297501

CCCN(C1=C(O)CC(CCc2ccc(O)cc2)(C(C)C)OC1=O)c1cccc(C(N)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 2/20 0.35
GLI2 P10070 2/20 0.35
OPRM1 P35372 2/20 0.33
ARRB1 P49407 1/20 0.33
ESRRG P62508 2/20 0.32
OPRK1 P41145 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL6302376 0.94 GLI1 (0.30) GLI1GLI2
SCHEMBL6297392 0.94 OPRM1 (0.34) GLI1GLI2OPRM1ARRB1OPRK1
SCHEMBL6302155 0.94 OPRM1 (0.34) GLI1GLI2OPRM1ARRB1ESRRG
SCHEMBL7077392 0.90 GLI1 (0.35) GLI1GLI2OPRM1ESRRGOPRK1
SCHEMBL6295744 0.89 GLI1 (0.32) GLI1GLI2ESRRG
SCHEMBL6295921 0.88 OPRM1 (0.38) OPRM1ARRB1OPRK1
SCHEMBL6295960 0.87 GLI1 (0.32) GLI1GLI2ESRRG
SCHEMBL7077370 0.87 OPRM1 (0.34) GLI1GLI2OPRM1ARRB1ESRRG
SCHEMBL6295877 0.87 GLI1 (0.34) GLI1GLI2OPRM1ESRRGOPRK1
SCHEMBL7140943 0.85 ESRRG (0.34) GLI1GLI2ESRRGESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171425-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2003-09-11 US claimed
US-6512006-B1 Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties WARNER-LAMBERT COMPANY 2003-01-28 US claimed
US-6927217-B2 HIV protease inhibitors WARNER-LAMBERT COMPANY (US) 2005-08-09 US disclosed
US-20030171425-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2003-09-11 US disclosed
US-6512006-B1 Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties WARNER-LAMBERT COMPANY 2003-01-28 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-20030171425-A1 HIV protease inhibitors DNPEP, PRSS1, PREP GLI1 4538/4885GLI2 4712/4885OPRM1 3843/4885

“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.