SCHEMBL7079182

SCHEMBL7079182

CCCN(C1=C(O)CC(CCc2ccc(N)cc2)(c2ccccc2)OC1=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPIB P23284 1/20 0.34
LDHA P00338 2/20 0.32
UTS2R Q9UKP6 8/20 0.32
ITGB3 P05106 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA5 P08648 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
EGFR P00533 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
SCHEMBL7074566 0.93 LDHA (0.35) LDHAUTS2RDRD2EGFR
SCHEMBL7077562 0.87 OPRM1 (0.34) LDHAUTS2RDRD2
SCHEMBL7073589 0.86 PTPN1 (0.40)
SCHEMBL7077918 0.86 UTS2R (0.36) LDHAUTS2RDRD2
SCHEMBL7077656 0.85 UTS2R (0.36) LDHAUTS2RDRD2
SCHEMBL7079765 0.85 UTS2R (0.36) LDHAUTS2RDRD2
SCHEMBL7075170 0.85 LDHA (0.36) LDHAUTS2REGFR
SCHEMBL7080444 0.84 LDHA (0.35) LDHAUTS2REGFR
SCHEMBL7073418 0.84 LDHA (0.38) LDHAUTS2REGFR
SCHEMBL6295721 0.84 PPIB (0.32) PPIBITGB3ITGB1ITGAVITGA5

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 2 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

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 PPIB 845/4885LDHA 2167/4885UTS2R 3413/4885

“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.