SCHEMBL17756152

SCHEMBL17756152

CC(C)(C)OC(=O)C[C@H](CCOCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.46
PPARG P37231 1/20 0.45
SLC15A1 P46059 2/20 0.43
SLC1A1 P43005 1/20 0.43
MMP3 P08254 4/20 0.42
MMP9 P14780 3/20 0.42
MMP8 P22894 3/20 0.42
MMP1 P03956 3/20 0.42
CTSS P25774 1/20 0.41
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
FOLH1 Q04609 1/20 0.40
CPA1 P15085 1/20 0.40

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
SCHEMBL2410580 1.00 PPARA (0.49) PPARAL3MBTL1PPARGSLC15A1SLC1A1
SCHEMBL2410585 1.00 PPARA (0.49) PPARAL3MBTL1PPARGSLC15A1SLC1A1
SCHEMBL14243701 0.94 L3MBTL1 (0.51) PPARAL3MBTL1PPARGSLC15A1SLC1A1
SCHEMBL15684087 0.94 L3MBTL1 (0.51) PPARAL3MBTL1PPARGSLC15A1SLC1A1
SCHEMBL7422742 0.92 L3MBTL1 (0.53) PPARAL3MBTL1PPARGSLC15A1SLC1A1
SCHEMBL2413866 0.89 PPARA (0.46) PPARAL3MBTL1PPARGMMP3MMP9
SCHEMBL2413872 0.89 PPARA (0.46) PPARAL3MBTL1PPARGMMP3MMP9
SCHEMBL1914958 0.83 CTSS (0.46) PPARGMMP3CTSSCA2CA9
SCHEMBL1914954 0.83 CTSS (0.46) PPARGMMP3CTSSCA2CA9
SCHEMBL1915090 0.83 CTSS (0.46) PPARGMMP3CTSSCA2CA9

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-9394297-B2 Amides as pim inhibitors AMGEN INC. (US) 2016-07-19 US disclosed
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 US disclosed
US-20150329538-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2015-11-19 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 (2 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-20150329538-A1 AMIDES AS PIM INHIBITORS PIM1, PIM3, PIM2 PPARA 1196/4885L3MBTL1 1545/4885PPARG 1321/4885
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 PPARA 661/4885L3MBTL1 4739/4885PPARG 343/4885

“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.