SCHEMBL17756149

SCHEMBL17756149

CC(C(=O)OC(C)(C)C)C(CCOCc1ccccc1)C(=O)NN

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.44
LTA4H P09960 1/20 0.42
CTSS P25774 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
POLB P06746 1/20 0.41
PPARG P37231 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SYK P43405 1/20 0.39
MMP3 P08254 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP1 P03956 1/20 0.38
MME P08473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 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
SCHEMBL17756151 0.87 PPARA (0.48) PPARALTA4HCTSSL3MBTL1POLB
SCHEMBL29447511 0.78 LTA4H (0.57) PPARALTA4HCTSSL3MBTL1PPARG
SCHEMBL6293054 0.78 L3MBTL1 (0.50) PPARALTA4HCTSSL3MBTL1POLB
SCHEMBL17762214 0.77 CA1 (0.40) CTSSL3MBTL1MAPT
SCHEMBL486967 0.76 L3MBTL1 (0.49) PPARALTA4HCTSSL3MBTL1POLB
SCHEMBL30598766 0.76 L3MBTL1 (0.49) PPARALTA4HCTSSL3MBTL1POLB
SCHEMBL486968 0.76 L3MBTL1 (0.49) PPARALTA4HCTSSL3MBTL1POLB
SCHEMBL7418511 0.75 PPARA (0.48) PPARALTA4HCTSSL3MBTL1PPARG
SCHEMBL18939254 0.75 L3MBTL1 (0.42) PPARALTA4HCTSSL3MBTL1POLB
SCHEMBL18964242 0.75 L3MBTL1 (0.42) PPARALTA4HCTSSL3MBTL1POLB

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 661/4885LTA4H 2010/4885CTSS 3365/4885

“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.