SCHEMBL13219213

SCHEMBL13219213

COc1cnc2c(c1)c(CCC(=O)O)nn2S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.42
▸ RXRB P28702 2/20 0.42
▸ RXRG P48443 2/20 0.42
▸ PPARG P37231 3/20 0.38
▸ PPARA Q07869 3/20 0.38
▸ PPARD Q03181 2/20 0.38
▸ AKR1C3 P42330 3/20 0.37
▸ AKR1C2 P52895 3/20 0.37
▸ PTGS1 P23219 2/20 0.37
▸ AKR1C4 P17516 2/20 0.37
▸ AKR1C1 Q04828 2/20 0.37
▸ AR P10275 1/20 0.37
▸ PTGDR2 Q9Y5Y4 3/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ ITGB1 P05556 2/20 0.35
▸ ITGA4 P13612 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13219219 0.91 PPARG (0.40) RXRARXRBRXRGPPARGPPARA
SCHEMBL3034325 0.88 PPARG (0.51) PPARGPPARAPPARDPTGDR2ALDH1A1
SCHEMBL13219212 0.82 PPARG (0.43) PPARGPPARAPPARDPTGDR2KDM4E
SCHEMBL13219234 0.80 FFAR1 (0.46) PPARGPPARAPPARD
SCHEMBL13219235 0.79 FFAR1 (0.44) PPARGPPARAPPARDALDH1A1
SCHEMBL13219232 0.79 ADAMTS4 (0.47) PPARGPPARAPPARDPTGDR2ALDH1A1
SCHEMBL13219227 0.77 LMNA (0.42) PPARGPPARAPPARDPTGDR2
SCHEMBL13219225 0.76 MAPT (0.41) PPARGPPARAPPARDALDH1A1
SCHEMBL13219226 0.73 HDAC6 (0.43) —
SCHEMBL13219224 0.73 HDAC6 (0.43) PPARGPPARAPPARDPTGDR2

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 RXRA 7/4885RXRB 6/4885RXRG 5/4885

“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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