SCHEMBL17756151

SCHEMBL17756151

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
PPARG P37231 1/20 0.44
LTA4H P09960 1/20 0.41
CTSS P25774 1/20 0.41
SYK P43405 1/20 0.40
POLB P06746 1/20 0.40
MME P08473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FOLH1 Q04609 1/20 0.38
AAK1 Q2M2I8 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
SCHEMBL17756149 0.87 PPARA (0.44) PPARAL3MBTL1PPARGLTA4HCTSS
SCHEMBL28494073 0.84 CTSS (0.45) CTSSMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6293054 0.82 L3MBTL1 (0.50) PPARAL3MBTL1PPARGLTA4HCTSS
SCHEMBL486968 0.81 L3MBTL1 (0.49) PPARAL3MBTL1PPARGLTA4HCTSS
SCHEMBL30598766 0.81 L3MBTL1 (0.49) PPARAL3MBTL1PPARGLTA4HCTSS
SCHEMBL486967 0.81 L3MBTL1 (0.49) PPARAL3MBTL1PPARGLTA4HCTSS
SCHEMBL12268042 0.81 SLC1A3 (0.49) CTSSPOLBMEN1KMT2A
SCHEMBL22086824 0.81 HTT (0.46) PPARAMMEALDH1A1MEN1KMT2A
SCHEMBL29447511 0.80 LTA4H (0.57) PPARAL3MBTL1PPARGLTA4HCTSS
SCHEMBL7418511 0.80 PPARA (0.48) PPARAL3MBTL1PPARGLTA4HCTSS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 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 (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-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.