SCHEMBL11941535

SCHEMBL11941535

CCc1nnc(SCC(C)=O)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 3/20 0.46
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
F13A1 P00488 1/20 0.40
TGM1 P22735 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL11927276 0.78 GAA (0.73) GAAL3MBTL1POLBALDH1A1MAPT
SCHEMBL3547447 0.76 ALDH1A1 (0.64) GAAPOLBALDH1A1MAPTMEN1
SCHEMBL16160314 0.76 GAA (0.47) GAAL3MBTL1POLBALDH1A1MAPT
SCHEMBL11937209 0.74 POLB (0.50) GAAL3MBTL1POLBALDH1A1MAPT
SCHEMBL11942196 0.70 ATM (0.41) GAAL3MBTL1POLBALDH1A1MAPT
SCHEMBL11691398 0.70
SCHEMBL11691390 0.69
SCHEMBL10401992 0.68 GAA (0.58) GAAL3MBTL1POLBALDH1A1MEN1
SCHEMBL10401989 0.68 TSHR (0.44) GAAL3MBTL1POLBALDH1A1MEN1
SCHEMBL7024809 0.67 APEX1 (0.34) POLBALDH1A1MEN1KMT2ANPC1

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-8227456-B2 Pharmaceutical composition for preventing and treating metabolic bone diseases containing alpha-arylmethoxyacrylate derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-07-24 US disclosed
US-7879835-B2 treating osteoporosis, comprising administering drugs such as (E)-methyl 2-(2-((4-octylphenoxy)methyl)-3-methoxyacrylate, which inhibit osteoclast formation or resorption activity; side effect reduction KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-02-01 US disclosed
US-20100256367-A1 Pharmaceutical Composition For Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyactylate Derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-10-07 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-20100256367-A1 Pharmaceutical Composition For Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyactylate Derivatives ARSA, BMP2, BMP1 GAA 38/4885L3MBTL1 2397/4885POLB 1623/4885

“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.