SCHEMBL5129476

SCHEMBL5129476

CCCOc1cc(CC(=O)O)cc(S(=O)(=O)c2cccc(Oc3ccc(OC)cc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.47
MMP2 P08253 2/20 0.45
MMP8 P22894 2/20 0.45
MMP12 P39900 2/20 0.45
MMP13 P45452 2/20 0.45
MMP14 P50281 2/20 0.45
MMP16 P51512 2/20 0.45
MMP9 P14780 1/20 0.45
MTNR1B P49286 1/20 0.43
PLA2G4B P0C869 1/20 0.43
NR1H3 Q13133 1/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MCL1 Q07820 2/20 0.41
PGR P06401 3/20 0.41
NAMPT P43490 1/20 0.41
KAT6A Q92794 1/20 0.40
PTGS1 P23219 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40

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
SCHEMBL5123923 0.92 MMP2 (0.51) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5052570 0.89 PLA2G4B (0.51) PTGDR2MMP13MMP9MTNR1BPLA2G4B
SCHEMBL5122402 0.89 MMP2 (0.44) PTGDR2MMP2MMP8MMP12MMP13
SCHEMBL5132308 0.88 ALOX5 (0.42) PTGDR2PLA2G4BFFAR1NAMPT
SCHEMBL5131799 0.88 MMP2 (0.48) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5126365 0.88 PTGDR2 (0.48) PTGDR2MTNR1BPLA2G4BNAMPTKAT6A
SCHEMBL5129039 0.87 PLA2G4B (0.44) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5126232 0.86 ALDH1A1 (0.49) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5128767 0.85 MMP2 (0.42) PTGDR2MMP2MMP8MMP12MMP13
SCHEMBL5051566 0.84 MMP2 (0.48) MMP2MMP8MMP12MMP13MMP14

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 173/4885MMP2 2282/4885MMP8 1388/4885

“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.