SCHEMBL2822440

SCHEMBL2822440

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
THRB P10828 1/20 0.38
HSD17B10 Q99714 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
PTGS2 P35354 1/20 0.36
ALKBH5 Q6P6C2 2/20 0.36
PPARA Q07869 2/20 0.36
PPARD Q03181 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 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
SCHEMBL2818938 0.93 TBXAS1 (0.43) TBXAS1ALDH1A1LMNANPC1HTT
SCHEMBL2819515 0.90 THRB (0.43) MAPTTHRBADORA2AADORA2BADORA1
SCHEMBL2819276 0.90 KLKB1 (0.41) TBXAS1HSD17B10PPARAPPARDSMN1; SMN2
SCHEMBL2819674 0.90 TBXAS1 (0.43) TBXAS1ALDH1A1LMNAMAPTNPC1
SCHEMBL2824753 0.90 TBXAS1 (0.43) TBXAS1ALDH1A1LMNAMAPTNPC1
SCHEMBL2823157 0.88 L3MBTL1 (0.45) TBXAS1ALDH1A1MAPTNPC1HTT
SCHEMBL2821986 0.88 TBXAS1 (0.42) TBXAS1ALDH1A1LMNAMAPTNPC1
SCHEMBL2821029 0.86 TBXAS1 (0.39) TBXAS1ALDH1A1RAB9AHSD17B10SLC22A12
SCHEMBL2822984 0.86 GCGR (0.39) TBXAS1ALDH1A1LMNAMAPTNPC1
SCHEMBL2821382 0.84 ALOX5 (0.47) TBXAS1THRBPTGS2HDAC1

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 3 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

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 444/4885ALDH1A1 461/4885LMNA 1512/4885

“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.