SCHEMBL5129174

SCHEMBL5129174

COCCOc1cc(CC(=O)O)cc(S(=O)(=O)c2cccc(-c3cccc(C(F)(F)F)c3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
RXRA P19793 3/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA9 Q16790 2/20 0.41
FFAR1 O14842 2/20 0.40
PPARD Q03181 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
PTPN1 P18031 2/20 0.39
PTPN6 P29350 2/20 0.39
PTPN2 P17706 1/20 0.38
HTT P42858 1/20 0.38
PLAU P00749 2/20 0.38

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
SCHEMBL5128909 0.94 BCL2L1 (0.43) PTGDR2RXRARXRBRXRGFFAR1
SCHEMBL5123259 0.91 PTGDR2 (0.46) PTGDR2THRATHRBRXRARXRB
SCHEMBL4432426 0.89 RXRA (0.52) PTGDR2THRATHRBRXRARXRB
SCHEMBL5122627 0.88 THRA (0.42) THRATHRBFFAR1RORC
SCHEMBL5132494 0.87 FFAR1 (0.43) PTGDR2THRATHRBRXRAFFAR1
SCHEMBL5122594 0.85 MMP2 (0.44) PTGDR2FFAR1PPARDNR1H3KDM4E
SCHEMBL5132244 0.85 RXRA (0.46) PTGDR2RXRARXRBRXRGFFAR1
SCHEMBL5122448 0.85 FFAR1 (0.41) PTGDR2FFAR1
SCHEMBL5132471 0.84 FFAR1 (0.44) RXRARXRBRXRGFFAR1PPARD
SCHEMBL5131725 0.83 FFAR1 (0.42) PTGDR2FFAR1PPARD

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-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 US disclosed
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 US disclosed
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 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-20080249137-A1 PPAR active compounds PPARG, PPARA, PPARD PTGDR2 173/4885THRA 228/4885THRB 130/4885

“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.