SCHEMBL2821029

SCHEMBL2821029

CC(C)(Sc1ccc(C(=O)OCc2cnn(Cc3ccc(F)c(F)c3)c2)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.39
KLKB1 P03952 1/20 0.38
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
GRM2 Q14416 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34

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
SCHEMBL2822756 0.90 KLKB1 (0.37) KLKB1ALDH1A1POLBHSD17B10ADORA2A
SCHEMBL2819674 0.87 TBXAS1 (0.43) TBXAS1KLKB1ALDH1A1POLBHSD17B10
SCHEMBL2824753 0.87 TBXAS1 (0.43) TBXAS1ALDH1A1HSD17B10TBXA2RSLC22A12
SCHEMBL2820791 0.86 KLKB1 (0.39) TBXAS1KLKB1SLC22A12KMT2AL3MBTL1
SCHEMBL2822440 0.86 TBXAS1 (0.41) TBXAS1ALDH1A1HSD17B10SLC22A12ADORA2A
SCHEMBL2818938 0.86 TBXAS1 (0.43) TBXAS1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2819515 0.86 THRB (0.43) ADORA2AADORA2BADORA1
SCHEMBL2819276 0.85 KLKB1 (0.41) TBXAS1KLKB1HSD17B10L3MBTL1SMN1; SMN2
SCHEMBL2821986 0.85 TBXAS1 (0.42) TBXAS1KLKB1ALDH1A1HSD17B10L3MBTL1
SCHEMBL2823157 0.85 L3MBTL1 (0.45) TBXAS1KLKB1ALDH1A1HSD17B10SLC22A12

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 TBXAS1 444/4885KLKB1 1854/4885ALDH1A1 461/4885

“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.