SCHEMBL2824753

SCHEMBL2824753

CSc1ccc(Cn2cc(COC(=O)c3ccc(SC(C)(C)C(=O)O)cc3)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.43
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SLC22A12 Q96S37 2/20 0.37
ATM Q13315 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 3/20 0.35
TBXA2R P21731 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
KDM1A O60341 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL2819674 0.92 TBXAS1 (0.43) TBXAS1KDM4EHTTNPC1MAPT
SCHEMBL2818938 0.91 TBXAS1 (0.43) TBXAS1KDM4EHTTNPC1RAB9A
SCHEMBL2821986 0.90 TBXAS1 (0.42) TBXAS1NPC1MAPTRAB9AHSD17B10
SCHEMBL2823157 0.90 L3MBTL1 (0.45) TBXAS1KDM4ESMN1; SMN2HTTNPC1
SCHEMBL2822440 0.90 TBXAS1 (0.41) TBXAS1KDM4ESMN1; SMN2HTTNPC1
SCHEMBL2819276 0.89 KLKB1 (0.41) TBXAS1SMN1; SMN2HSD17B10L3MBTL1HPGD
SCHEMBL2821029 0.87 TBXAS1 (0.39) TBXAS1SMN1; SMN2RAB9AHSD17B10MEN1
SCHEMBL2819374 0.87 TBXAS1 (0.42) TBXAS1SMN1; SMN2MAPTHSD17B10MEN1
SCHEMBL2820791 0.86 KLKB1 (0.39) TBXAS1MAPTKMT2ASLC22A12LMNA
SCHEMBL2819515 0.83 THRB (0.43) MAPT

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 444/4885KDM4E 4620/4885SMN1; SMN2 4788/4885

“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.