SCHEMBL4452489

SCHEMBL4452489

CCC1(C)OC(=O)N(F)C1(F)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
MMP3 P08254 1/20 0.40
HSD11B1 P28845 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
SIGMAR1 Q99720 3/20 0.32
DRD2 P14416 1/20 0.32
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
PRTN3 P24158 1/20 0.32
GRM2 Q14416 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL4450100 0.83 HSD11B1 (0.37) MMP2MMP9MMP3HSD11B1ELANE
SCHEMBL4460824 0.76 GAA (0.42) MMP2MMP9MMP3HSD11B1L3MBTL1
SCHEMBL4452493 0.74 MMP2 (0.41) MMP2MMP9MMP3HSD11B1L3MBTL1
SCHEMBL4450103 0.71 GAA (0.40) MMP2MMP9MMP3HSD11B1L3MBTL1
SCHEMBL4480093 0.60 ELANE (0.38) MMP2MMP9MMP3HSD11B1L3MBTL1
SCHEMBL4480090 0.60 HSD11B1 (0.36) MMP2MMP9MMP3HSD11B1ELANE
SCHEMBL4458256 0.58 IDH1 (0.39) MMP2MMP9MMP3HSD11B1SMN1; SMN2
SCHEMBL19809338 0.56 MEN1 (0.36) MMP2MMP9L3MBTL1GAAGRIN2D
Biphenyl SCHEMBL1147617 0.56 ALDH1A1 (0.53) L3MBTL1MAPTSMN1; SMN2
Biphenyl SCHEMBL5898513 0.56 ALDH1A1 (0.53) L3MBTL1MAPTSMN1; SMN2

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-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 MMP2 2334/4885MMP9 3295/4885MMP3 3754/4885

“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.