Sugi Predict

Sugi Predict / Compounds / SCHEMBL4434103

SCHEMBL4434103

SCHEMBL4434103

COc1cc(CC(=O)O)cc(S(=O)(=O)c2cccc(-c3ccccc3F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.47
▸ KAT6A Q92794 2/20 0.42
▸ PTGDR2 Q9Y5Y4 2/20 0.41
▸ LOXL2 Q9Y4K0 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CASR P41180 1/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ MMP8 P22894 2/20 0.39
▸ MMP12 P39900 2/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ MMP14 P50281 2/20 0.39
▸ MMP16 P51512 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ AKR1C3 P42330 3/20 0.39
▸ AKR1C2 P52895 3/20 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
SCHEMBL4435665 0.93 FFAR1 (0.41) FFAR1PTGDR2LOXL2MEN1KMT2A
SCHEMBL4427580 0.91 FFAR1 (0.46) FFAR1PTGDR2THRATHRBAKR1C3
SCHEMBL4430740 0.88 LOXL2 (0.48) KAT6APTGDR2LOXL2MMP2MMP8
SCHEMBL4429898 0.86 PTGDR2 (0.47) FFAR1PTGDR2THRATHRBAKR1C3
SCHEMBL4438508 0.86 PTGER2 (0.46) KAT6APTGDR2LOXL2MMP2MMP8
SCHEMBL4431262 0.85 FFAR1 (0.52) FFAR1KAT6A
SCHEMBL4433212 0.85 RXRA (0.43) FFAR1KAT6APTGDR2LOXL2MMP2
SCHEMBL4435651 0.84 PTGER2 (0.43) FFAR1PTGDR2LOXL2MMP2MMP8
SCHEMBL4435673 0.84 FFAR1 (0.46) FFAR1PTGDR2MEN1KMT2APTGS1
SCHEMBL4434310 0.84 THRA (0.41) FFAR1PTGDR2MEN1KMT2ATHRA

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 FFAR1 30/4885KAT6A 2261/4885PTGDR2 626/4885

“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.