SCHEMBL13219225

SCHEMBL13219225

COc1cnc2c(c1)c(CCC(=O)O)nn2S(=O)(=O)c1ccc(CNc2cc3ccccc3cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ KLKB1 P03952 3/20 0.36
▸ KLK1 P06870 2/20 0.36
▸ KIT P10721 1/20 0.35
▸ PKM P14618 2/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL13219224 0.84 HDAC6 (0.43) MAPTHDAC6PPARGPPARDPPARA
SCHEMBL13219226 0.84 HDAC6 (0.43) MAPTHDAC6FFAR1HTR6KLKB1
SCHEMBL3034325 0.83 PPARG (0.51) MAPTPPARGPPARDPPARAFFAR1
SCHEMBL13219227 0.79 LMNA (0.42) PPARGPPARDPPARAL3MBTL1PKM
SCHEMBL13219234 0.79 FFAR1 (0.46) MAPTPPARGPPARDPPARAFFAR1
SCHEMBL13219219 0.78 PPARG (0.40) MAPTPPARGPPARDPPARAFFAR1
SCHEMBL3029543 0.78 PPARG (0.66) PPARGPPARDPPARADRD2HTR7
SCHEMBL13219212 0.78 PPARG (0.43) MAPTPPARGPPARDPPARAFFAR1
SCHEMBL13219232 0.78 ADAMTS4 (0.47) PPARGPPARDPPARAFFAR1PKM
SCHEMBL13219235 0.78 FFAR1 (0.44) MAPTPPARGPPARDPPARAFFAR1

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 MAPT 4598/4885HDAC6 310/4885PPARG 1/4885

“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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