SCHEMBL17747713

SCHEMBL17747713

O=C(O)C[C@H](CCCOCc1ccccc1)C(Cl)=NO

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 6/20 0.46
MMP8 P22894 4/20 0.46
MMP9 P14780 3/20 0.46
MMP1 P03956 4/20 0.44
FOLH1 Q04609 1/20 0.41
CPA1 P15085 2/20 0.40
CPB1 P15086 1/20 0.40
CPA3 P15088 1/20 0.40
CPB2 Q96IY4 1/20 0.40
CASP1 P29466 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP2 P08253 3/20 0.38
MMP12 P39900 1/20 0.38
EPHX2 P34913 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
EPOR P19235 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
SCHEMBL17747715 1.00 MMP3 (0.46) MMP3MMP8MMP9MMP1FOLH1
SCHEMBL17747711 1.00 MMP3 (0.46) MMP3MMP8MMP9MMP1FOLH1
SCHEMBL17755918 0.86 L3MBTL1 (0.46) MMP3MMP8MMP9MMP1FOLH1
SCHEMBL17747737 0.84 CPA1 (0.54) MMP3MMP8MMP9MMP1FOLH1
SCHEMBL17747741 0.84 CPA1 (0.54) MMP3MMP8MMP9MMP1FOLH1
SCHEMBL17747692 0.81 MMP3 (0.47) MMP3MMP8MMP9MMP1FOLH1
SCHEMBL27637198 0.76 MMP12 (0.52) MMP3MMP8MMP9MMP1FOLH1
SCHEMBL27637199 0.76 MMP12 (0.52) MMP3MMP8MMP9MMP1FOLH1
SCHEMBL27618004 0.76 MMP12 (0.52) MMP3MMP8MMP9MMP1FOLH1
SCHEMBL17747694 0.75 FOLH1 (0.41) MMP3MMP8MMP9MMP1FOLH1

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 MMP3 334/4885MMP8 659/4885MMP9 449/4885

“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.