SCHEMBL9895055

SCHEMBL9895055

Cc1ccccc1CC(C(=O)O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PTGS2 P35354 4/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
LMNA P02545 1/20 0.39
EPHX2 P34913 2/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
GRM4 Q14833 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL9896075 1.00 PPARG (0.41) PPARGPPARAPTGS2AKR1C3AKR1C2
SCHEMBL9894964 0.85 ESR1 (0.45) PPARGPPARAPTGS2LMNAEPHX2
SCHEMBL28062032 0.85 PPARG (0.49) PPARGPPARALMNAEPHX2
SCHEMBL9896010 0.76 EPHX2 (0.51) PTGS2AKR1C3AKR1C2EPHX2CA2
SCHEMBL4482850 0.76 AKR1C3 (0.47) AKR1C3AKR1C2LMNAEPHX2GRM4
SCHEMBL9895000 0.75 SLC1A1 (0.48) PPARGPPARAPTGS2AKR1C3EPHX2
SCHEMBL9894874 0.75 NPC1 (0.42) PTGS2
SCHEMBL9896932 0.75 NPC1 (0.42) PTGS2
SCHEMBL9894873 0.75 NPC1 (0.42) PTGS2
SCHEMBL9895033 0.75 GAA (0.38) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 PPARG 283/4885PPARA 399/4885PTGS2 1485/4885

“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.