SCHEMBL6301693

SCHEMBL6301693

CCCN(C1=C(O)CC(CCc2ccc(O)cc2)(C(C)C)OC1=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.31
GLI1 P08151 1/20 0.31
GLI2 P10070 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
SCHEMBL7077573 0.95 CNR2 (0.30)
SCHEMBL6297479 0.89 ESRRG (0.32) ESRRGGLI1GLI2
SCHEMBL6295877 0.89 GLI1 (0.34) ESRRGGLI1GLI2
SCHEMBL6295744 0.86 GLI1 (0.32) ESRRGGLI1GLI2
SCHEMBL6295960 0.86 GLI1 (0.32) ESRRGGLI1GLI2
SCHEMBL7140943 0.85 ESRRG (0.34) ESRRGGLI1GLI2
SCHEMBL7141092 0.84 WRN (0.33)
SCHEMBL6297501 0.84 GLI1 (0.35) ESRRGGLI1GLI2
SCHEMBL6295927 0.83 ESR1 (0.36) GLI1GLI2
SCHEMBL7077392 0.82 GLI1 (0.35) ESRRGGLI1GLI2

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 ESRRG 4476/4885GLI1 4538/4885GLI2 4712/4885

“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.