SCHEMBL4899221

SCHEMBL4899221

CCCCCOc1c(Br)cc(CC(=O)O)cc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 1.00
THRA P10827 11/20 1.00
S1PR2 O95136 2/20 0.54
S1PR1 P21453 2/20 0.54
S1PR3 Q99500 2/20 0.54
LPAR2 Q9HBW0 2/20 0.54
PTPN11 Q06124 2/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
PLA2G4B P0C869 2/20 0.49
PPARG P37231 1/20 0.48
ALDH1A1 P00352 1/20 0.46
S1PR4 O95977 1/20 0.46
S1PR5 Q9H228 1/20 0.46

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
SCHEMBL4900725 0.98 THRB (1.00) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL4890007 0.95 THRB (1.00) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL4898278 0.85 THRB (0.97) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL4895878 0.84 THRB (1.00) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL15270918 0.81 THRB (0.71) THRBTHRAPTPN11PTPN1PTPN6
SCHEMBL4896778 0.81 THRB (0.71) THRBTHRAS1PR2S1PR1S1PR3
SCHEMBL12215167 0.81 THRB (0.71) THRBTHRAPTPN11PTPN1PTPN6
SCHEMBL4899348 0.80 THRB (1.00) THRBTHRAS1PR1PPARGS1PR5
SCHEMBL4900684 0.79 THRB (0.80) THRBTHRAPPARGALDH1A1
SCHEMBL12215169 0.78 THRA (0.66) THRBTHRAPTPN11PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 US disclosed
EP-1729756-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2006-12-13 EP disclosed
WO-2005094810-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2005-10-13 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 (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-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 THRB 792/4885THRA 559/4885S1PR2 328/4885

“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.