SCHEMBL13219227

SCHEMBL13219227

COc1cnc2c(c1)c(CCC(=O)O)nn2S(=O)(=O)c1ccc(Cn2ccc3cccnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ PTGDR2 Q9Y5Y4 6/20 0.38
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ METAP2 P50579 1/20 0.35
▸ TPH1 P17752 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ BMPR1B O00238 1/20 0.34
▸ ACVR1B P36896 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ ACVRL1 P37023 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL3034325 0.82 PPARG (0.51) LMNAPTGDR2PPARGPPARDPPARA
SCHEMBL13219226 0.81 HDAC6 (0.43) LMNA
SCHEMBL13219224 0.81 HDAC6 (0.43) LMNAPTGDR2PPARGPPARDPPARA
SCHEMBL13219232 0.80 ADAMTS4 (0.47) PTGDR2PPARGPPARDPPARAPKM
SCHEMBL13219211 0.79 TBXAS1 (0.42) PTGDR2PPARGPPARDPPARAFFAR4
SCHEMBL13219225 0.79 MAPT (0.41) LMNAPPARGPPARDPPARAPKM
SCHEMBL13219212 0.79 PPARG (0.43) LMNAPTGDR2PPARGPPARDPPARA
SCHEMBL3029874 0.79 PPARG (0.65) PPARGPPARDPPARA
SCHEMBL13219234 0.78 FFAR1 (0.46) PPARGPPARDPPARAFFAR4
SCHEMBL13219219 0.78 PPARG (0.40) PTGDR2PPARGPPARDPPARA

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 LMNA 2137/4885PTGDR2 343/4885PPARG 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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