SCHEMBL5122402

SCHEMBL5122402

CCCOc1cc(CC(=O)O)cc(S(=O)(=O)c2cccc(-c3ccc(OC)cc3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.44
MMP8 P22894 2/20 0.44
MMP12 P39900 2/20 0.44
MMP13 P45452 2/20 0.44
MMP14 P50281 2/20 0.44
MMP16 P51512 2/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
FFAR1 O14842 4/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PTGS2 P35354 1/20 0.42
KAT6A Q92794 1/20 0.41
PPARD Q03181 1/20 0.41
SLC13A5 Q86YT5 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MTNR1B P49286 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
SCHEMBL5128717 0.92 FFAR1 (0.44) MMP2MMP12MMP13MMP14MMP1
SCHEMBL5122594 0.92 MMP2 (0.44) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5132323 0.92 MMP2 (0.46) MMP2MMP8MMP12MMP13MMP14
SCHEMBL4428902 0.91 MMP2 (0.50) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5132506 0.90 KAT6A (0.42) MMP2MMP12MMP13MMP14MMP1
SCHEMBL5132609 0.90 SLC13A5 (0.41) FFAR1KAT6ASLC13A5PTGDR2PLA2G4B
SCHEMBL5129476 0.89 PTGDR2 (0.47) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5129469 0.89 FFAR1 (0.42) MMP2MMP12MMP13MMP14MMP1
SCHEMBL4439777 0.88 FFAR1 (0.44) MMP2MMP8MMP12MMP13MMP14
SCHEMBL5129378 0.88 PIK3CA (0.42) FFAR1SLC13A5PTPN11CYP11B1CYP11B2

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 4 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
WO-2007030567-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-03-15 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-20080249137-A1 PPAR active compounds PPARG, PPARA, PPARD MMP2 2282/4885MMP8 1388/4885MMP12 1426/4885

“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.