SCHEMBL17747744

SCHEMBL17747744

NC(CCCOCc1ccccc1)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.48
SLC1A1 P43005 3/20 0.44
MMP3 P08254 2/20 0.44
MMP1 P03956 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.43
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
CASP1 P29466 1/20 0.43
FOLH1 Q04609 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL17747743 1.00 LTA4H (0.48) LTA4HSLC1A1MMP3MMP1SMN1; SMN2
SCHEMBL27618004 0.83 MMP12 (0.52) MMP3MMP1SMN1; SMN2HTTCASP1
SCHEMBL27637198 0.83 MMP12 (0.52) MMP3MMP1SMN1; SMN2HTTCASP1
SCHEMBL27637199 0.83 MMP12 (0.52) MMP3MMP1SMN1; SMN2HTTCASP1
SCHEMBL7312276 0.83 TSHR (0.45) SLC1A1MMP3MMP1SMN1; SMN2KMT2A
SCHEMBL15684088 0.83 L3MBTL1 (0.50) LTA4HSLC1A1MMP3MMP1SMN1; SMN2
SCHEMBL17747692 0.82 MMP3 (0.47) LTA4HSLC1A1MMP3MMP1SMN1; SMN2
SCHEMBL17747741 0.82 CPA1 (0.54) SLC1A1MMP3MMP1SMN1; SMN2HTT
SCHEMBL17747737 0.82 CPA1 (0.54) SLC1A1MMP3MMP1SMN1; SMN2HTT
SCHEMBL8618292 0.81 SLC1A1 (0.57) LTA4HSLC1A1SMN1; SMN2KMT2AHTT

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 LTA4H 2010/4885SLC1A1 782/4885MMP3 334/4885

“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.