SCHEMBL2822946

SCHEMBL2822946

Cc1ccc(Cn2nc(COC(=O)c3ccc(SC(C)(C)C(=O)OC(C)(C)C)cc3)[nH]c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
PREP P48147 2/20 0.33
GAA P10253 1/20 0.33
HCRTR1 O43613 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 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
SCHEMBL2819380 0.90 PPARA (0.51) PPARGPPARDPPARARXFP1MEN1
SCHEMBL2820480 0.82 PPARG (0.42) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL2819448 0.82 NPC1 (0.35) RXFP1RAB9AALDH1A1NPC1LMNA
SCHEMBL2822359 0.78 PPARA (0.72) PPARGPPARDPPARATBXAS1
SCHEMBL2819508 0.78 TSHR (0.36) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL2822465 0.77 KDM1A (0.48) HDAC1TSHR
SCHEMBL2820072 0.74 ALDH1A1 (0.35) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL2818637 0.73 PPARA (0.43) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL2822443 0.73 PPARA (0.43) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL2818638 0.73 PPARA (0.43) PPARGPPARDPPARAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US disclosed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG PPARG 3/4885PPARD 2/4885PPARA 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.