SCHEMBL16124513

SCHEMBL16124513

COc1ccc(Oc2c(I)cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc2I)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ ACE P12821 2/20 0.46
▸ ITGA4 P13612 2/20 0.45
▸ ITGB7 P26010 2/20 0.45
▸ PPARG P37231 2/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ PCNA P12004 3/20 0.43
▸ PTPN1 P18031 3/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ THRB P10828 6/20 0.43
▸ THRA P10827 4/20 0.43
▸ LMNA P02545 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ F2 P00734 1/20 0.41

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
SCHEMBL14484751 1.00 ITGB3 (0.46) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL16124515 0.93 KLK5 (0.43) ITGB3ITGA2BACEITGA4ITGB7
SCHEMBL8205060 0.84 THRB (0.60) ITGB3ITGA2BACEPPARGPCNA
SCHEMBL18558000 0.84 THRB (0.55) ITGB3ITGA2BACEPPARGPCNA
SCHEMBL5177146 0.84 THRB (0.60) ITGB3ITGA2BACEPPARGPCNA
SCHEMBL5177770 0.84 THRB (0.60) ITGB3ITGA2BACEPPARGPCNA
SCHEMBL5177568 0.84 PCNA (0.58) ITGB3ITGA2BACEPCNAPTPN1
SCHEMBL13670909 0.84 PCNA (0.58) ITGB3ITGA2BACEPCNAPTPN1
SCHEMBL5177663 0.84 PCNA (0.58) ITGB3ITGA2BACEPCNAPTPN1
SCHEMBL23574848 0.84 ACE (0.56) ITGB3ITGA2BACEITGA4ITGB7

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-20140288077-A1 SUBSTITUTED 4-PHENOXYPHENOL ANALOGS AS MODULATORS OF PROLIFERATING CELL NUCLEAR ANTIGEN ACTIVITY ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-09-25 — — US disclosed
US-20140288077-A1 SUBSTITUTED 4-PHENOXYPHENOL ANALOGS AS MODULATORS OF PROLIFERATING CELL NUCLEAR ANTIGEN ACTIVITY ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-09-25 — — 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-20140288077-A1 SUBSTITUTED 4-PHENOXYPHENOL ANALOGS AS MODULATORS OF PROLIFERATING CELL NUCLEAR ANTIGEN ACTIVITY MKI67, PCNA, PCLAF ITGB3 4385/4885ITGA2B 4730/4885ACE 1963/4885

“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.

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