SCHEMBL2818938

SCHEMBL2818938

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.43
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX2 P34913 2/20 0.37
NR1H4 Q96RI1 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 3/20 0.36
BCHE P06276 1/20 0.35
NR4A2 P43354 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLAU P00749 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
SCHEMBL2822440 0.93 TBXAS1 (0.41) TBXAS1HSD17B10NPC1RAB9AKDM4E
SCHEMBL2819674 0.91 TBXAS1 (0.43) TBXAS1HSD17B10NPC1RAB9AKDM4E
SCHEMBL2824753 0.91 TBXAS1 (0.43) TBXAS1HSD17B10NPC1RAB9AKDM4E
SCHEMBL2821986 0.90 TBXAS1 (0.42) TBXAS1HSD17B10NPC1RAB9AALDH1A1
SCHEMBL2823157 0.90 L3MBTL1 (0.45) TBXAS1HSD17B10NPC1RAB9AKDM4E
SCHEMBL2819276 0.88 KLKB1 (0.41) TBXAS1HSD17B10TP53L3MBTL1
SCHEMBL2821029 0.86 TBXAS1 (0.39) TBXAS1HSD17B10RAB9AALDH1A1MEN1
SCHEMBL2820791 0.85 KLKB1 (0.39) TBXAS1KMT2ALMNAL3MBTL1
SCHEMBL2819515 0.84 THRB (0.43) NR4A2
SCHEMBL2820194 0.84 ALOX5 (0.48) TBXAS1LMNATP53HSP90AA1HSP90AB1

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 444/4885HSD17B10 140/4885NPC1 366/4885

“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.