SCHEMBL2819276

SCHEMBL2819276

CC(C)(Sc1ccc(C(=O)OCc2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.41
TBXAS1 P24557 2/20 0.41
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CACNA1H O95180 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
GCGR P47871 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CPB1 P15086 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
SCHEMBL2823157 0.91 L3MBTL1 (0.45) KLKB1TBXAS1PPARATP53SMN1; SMN2
SCHEMBL2822440 0.90 TBXAS1 (0.41) TBXAS1PPARDPPARASMN1; SMN2HSD17B10
SCHEMBL2824753 0.89 TBXAS1 (0.43) TBXAS1HPGDSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL2819674 0.89 TBXAS1 (0.43) KLKB1TBXAS1HPGDHSD17B10L3MBTL1
SCHEMBL2818938 0.88 TBXAS1 (0.43) TBXAS1TP53HSD17B10L3MBTL1
SCHEMBL2821986 0.87 TBXAS1 (0.42) KLKB1TBXAS1PPARDPPARAHPGD
SCHEMBL2821029 0.85 TBXAS1 (0.39) KLKB1TBXAS1TP53SMN1; SMN2CACNA1H
SCHEMBL2820791 0.85 KLKB1 (0.39) KLKB1TBXAS1L3MBTL1
SCHEMBL2819127 0.85 ALOX5 (0.46) TBXAS1PPARDPPARAL3MBTL1
SCHEMBL2819515 0.84 THRB (0.43)

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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US claimed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO claimed
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 KLKB1 1854/4885TBXAS1 444/4885PPARD 2/4885

“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.