SCHEMBL2823157

SCHEMBL2823157

COc1ccc(Cn2cc(COC(=O)c3ccc(SC(C)(C)C(=O)O)cc3)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TBXAS1 P24557 3/20 0.42
ERCC5 P28715 1/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
THRB P10828 1/20 0.38
ESR2 Q92731 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
TP53 P04637 1/20 0.37
KLKB1 P03952 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL2819276 0.91 KLKB1 (0.41) L3MBTL1SMN1; SMN2TBXAS1HSD17B10TP53
SCHEMBL2819674 0.90 TBXAS1 (0.43) L3MBTL1NPC1RAB9AMAPTTBXAS1
SCHEMBL2824753 0.90 TBXAS1 (0.43) L3MBTL1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2818938 0.90 TBXAS1 (0.43) L3MBTL1NPC1RAB9ATBXAS1KMT2A
SCHEMBL2821986 0.89 TBXAS1 (0.42) L3MBTL1NPC1RAB9AMAPTTBXAS1
SCHEMBL2822440 0.88 TBXAS1 (0.41) NPC1RAB9AMAPTSMN1; SMN2TBXAS1
SCHEMBL2820791 0.86 KLKB1 (0.39) L3MBTL1MAPTTBXAS1KMT2ATHRB
SCHEMBL2819470 0.85 L3MBTL1 (0.47) L3MBTL1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2821029 0.85 TBXAS1 (0.39) L3MBTL1RAB9ASMN1; SMN2TBXAS1KMT2A
SCHEMBL2821229 0.85 ALOX5 (0.48) L3MBTL1NPC1RAB9AMAPTSMN1; SMN2

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 L3MBTL1 4855/4885NPC1 366/4885RAB9A 4142/4885

“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.