SCHEMBL2819674

SCHEMBL2819674

Cc1ccc(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
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 5/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
HCRTR1 O43613 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
CYP1A2 P05177 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 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
SCHEMBL2824753 0.92 TBXAS1 (0.43) TBXAS1HSD17B10MAPTTSHRL3MBTL1
SCHEMBL2818938 0.91 TBXAS1 (0.43) TBXAS1HSD17B10L3MBTL1MEN1KMT2A
SCHEMBL2823157 0.90 L3MBTL1 (0.45) TBXAS1HSD17B10MAPTL3MBTL1MEN1
SCHEMBL2821986 0.90 TBXAS1 (0.42) TBXAS1HSD17B10MAPTTSHRL3MBTL1
SCHEMBL2819508 0.90 TSHR (0.36) TBXAS1HSD17B10MAPTPOLBTSHR
SCHEMBL2822440 0.90 TBXAS1 (0.41) TBXAS1HSD17B10MAPTMEN1KMT2A
SCHEMBL2819276 0.89 KLKB1 (0.41) TBXAS1HSD17B10L3MBTL1HPGDKLKB1
SCHEMBL2821029 0.87 TBXAS1 (0.39) TBXAS1HSD17B10POLBL3MBTL1MEN1
SCHEMBL2820791 0.86 KLKB1 (0.39) TBXAS1MAPTL3MBTL1KMT2ALMNA
SCHEMBL2819631 0.83 POLB (0.51) TBXAS1POLBTSHRL3MBTL1ALDH1A1

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 140/4885MAPT 4229/4885

“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.