Sugi Predict

Sugi Predict / Compounds / SCHEMBL4433212

SCHEMBL4433212

SCHEMBL4433212

COc1cc(CC(=O)O)cc(S(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ MMP1 P03956 2/20 0.42
▸ MMP2 P08253 2/20 0.42
▸ MMP3 P08254 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ MMP12 P39900 2/20 0.42
▸ MMP13 P45452 2/20 0.42
▸ MMP14 P50281 2/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP16 P51512 1/20 0.42
▸ LOXL2 Q9Y4K0 2/20 0.42
▸ FFAR1 O14842 3/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ PTGDR2 Q9Y5Y4 3/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ ITGB1 P05556 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
SCHEMBL4438508 0.92 PTGER2 (0.46) RXRARXRBRXRGMMP1MMP2
SCHEMBL4428902 0.92 MMP2 (0.50) RXRARXRBRXRGMMP1MMP2
SCHEMBL4430740 0.92 LOXL2 (0.48) RXRARXRBRXRGMMP1MMP2
SCHEMBL5128335 0.89 RXRA (0.45) RXRARXRBRXRGMMP1MMP2
SCHEMBL4430445 0.89 ACLY (0.43) RXRARXRBRXRGMMP1MMP2
SCHEMBL4435651 0.89 PTGER2 (0.43) RXRARXRBRXRGMMP1MMP2
SCHEMBL4435673 0.89 FFAR1 (0.46) FFAR1PPARDPTGDR2NR1H4PTGS1
SCHEMBL5132191 0.89 RXRA (0.54) RXRARXRBRXRGMMP1MMP2
SCHEMBL5132506 0.88 KAT6A (0.42) RXRARXRBRXRGMMP1MMP2
SCHEMBL4434310 0.88 THRA (0.41) RXRARXRBRXRGMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121591-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2009-11-25 — — EP disclosed
WO-2008109697-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 — — WO disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 — — US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 — — US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 — — 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-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PPARA, PPARG, PPARD RXRA 13/4885RXRB 14/4885RXRG 10/4885

“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.