SCHEMBL17747741

SCHEMBL17747741

O=C(O)CC(CCCOCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.54
CPA3 P15088 2/20 0.54
CPB1 P15086 1/20 0.54
CPB2 Q96IY4 1/20 0.54
MMP3 P08254 5/20 0.49
MMP1 P03956 4/20 0.49
MMP8 P22894 4/20 0.48
MMP9 P14780 3/20 0.48
SLC1A1 P43005 1/20 0.48
FOLH1 Q04609 3/20 0.46
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP1 P29466 1/20 0.43
CYP1A2 P05177 1/20 0.43
MMP2 P08253 1/20 0.43
MMP12 P39900 1/20 0.43

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
SCHEMBL17747737 1.00 CPA1 (0.54) CPA1CPA3CPB1CPB2MMP3
SCHEMBL17747692 0.88 MMP3 (0.47) CPA1CPA3CPB1CPB2MMP3
SCHEMBL8609583 0.84 MMP3 (0.53) MMP3MMP1MMP8MMP9SLC1A1
SCHEMBL17747715 0.84 MMP3 (0.46) CPA1CPA3CPB1CPB2MMP3
SCHEMBL17747713 0.84 MMP3 (0.46) CPA1CPA3CPB1CPB2MMP3
SCHEMBL17747711 0.84 MMP3 (0.46) CPA1CPA3CPB1CPB2MMP3
SCHEMBL15684087 0.84 L3MBTL1 (0.51) MMP3MMP1MMP8MMP9SLC1A1
SCHEMBL14243701 0.84 L3MBTL1 (0.51) MMP3MMP1MMP8MMP9SLC1A1
SCHEMBL27637199 0.83 MMP12 (0.52) MMP3MMP1MMP8MMP9FOLH1
SCHEMBL27637198 0.83 MMP12 (0.52) MMP3MMP1MMP8MMP9FOLH1

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 CPA1 2403/4885CPA3 1395/4885CPB1 3474/4885

“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.