SCHEMBL13219235

SCHEMBL13219235

COc1cnc2c(c1)c(CCC(=O)O)nn2S(=O)(=O)c1ccc(OCc2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.44
▸ PARP10 Q53GL7 5/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.38
▸ ALKBH1 Q13686 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MC4R P32245 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL13219234 0.92 FFAR1 (0.46) FFAR1PPARGPPARDPPARAMAPT
SCHEMBL3034325 0.88 PPARG (0.51) FFAR1PPARGPPARDPPARAMAPT
SCHEMBL13219232 0.85 ADAMTS4 (0.47) FFAR1PPARGPPARDPPARAKMT2A
SCHEMBL13219212 0.82 PPARG (0.43) FFAR1PPARGPPARDPPARAMAPT
SCHEMBL13219219 0.81 PPARG (0.40) FFAR1PPARGPPARDPPARAMAPT
SCHEMBL13219211 0.79 TBXAS1 (0.42) PPARGPPARDPPARAMAPTMEN1
SCHEMBL13219213 0.79 RXRA (0.42) PPARGPPARDPPARAALDH1A1
SCHEMBL13219225 0.78 MAPT (0.41) FFAR1PPARGPPARDPPARAMAPT
SCHEMBL13219227 0.77 LMNA (0.42) PPARGPPARDPPARAFFAR4
SCHEMBL3029347 0.76 PPARG (0.73) PPARGPPARDPPARA

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 FFAR1 64/4885PARP10 1020/4885PPARG 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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