SCHEMBL13219232

SCHEMBL13219232

COc1cnc2c(c1)c(CCC(=O)O)nn2S(=O)(=O)c1ccc(OCc2cccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 1/20 0.47
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ TBXAS1 P24557 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ FFAR1 O14842 2/20 0.40
▸ MMP1 P03956 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP13 P45452 2/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ ADAM17 P78536 3/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ GFER P55789 1/20 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
SCHEMBL13219211 0.89 TBXAS1 (0.42) KEAP1NFE2L2TBXAS1PPARGPPARD
SCHEMBL3034325 0.88 PPARG (0.51) KEAP1NFE2L2PPARGPPARDPPARA
SCHEMBL13219234 0.86 FFAR1 (0.46) ADAMTS4PPARGPPARDPPARAFFAR1
SCHEMBL13219212 0.85 PPARG (0.43) PPARGPPARDPPARAFFAR1MMP1
SCHEMBL13219235 0.85 FFAR1 (0.44) ADAMTS4PPARGPPARDPPARAFFAR1
SCHEMBL13219219 0.81 PPARG (0.40) PPARGPPARDPPARAFFAR1KMT2A
SCHEMBL13219227 0.80 LMNA (0.42) PPARGPPARDPPARAPTGDR2PKM
SCHEMBL13219213 0.79 RXRA (0.42) PPARGPPARDPPARAPTGDR2ALDH1A1
SCHEMBL3031150 0.78 PPARG (0.70) PPARGPPARDPPARA
SCHEMBL13219226 0.78 HDAC6 (0.43) FFAR1KMT2A

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-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 — — US disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 — — US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 — — US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 — — 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-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA ADAMTS4 3941/4885KEAP1 3515/4885NFE2L2 1503/4885

“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.

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