SCHEMBL2521741

SCHEMBL2521741

O=C(CC(=O)OCCBr)OCCBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
FAAH O00519 2/20 0.42
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
TRPA1 O75762 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
NAAA Q02083 1/20 0.31
DGKA P23743 1/20 0.31
TSHR P16473 1/20 0.30
MAOB P27338 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30

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
SCHEMBL2521742 0.87 FAAH (0.38) MGAMGAASIMGAM2FAAH
SCHEMBL2368458 0.85 GAA (0.50) MGAMGAASIMGAM2FAAH
SCHEMBL20511453 0.82
SCHEMBL11514649 0.80
SCHEMBL11040477 0.79 FAAH (0.55) MGAMGAASIMGAM2FAAH
SCHEMBL11041532 0.79 FAAH (0.55) MGAMGAASIMGAM2FAAH
SCHEMBL11037465 0.79 FAAH (0.55) MGAMGAASIMGAM2FAAH
Butane SCHEMBL9065845 0.79 FAAH (0.46) MGAMGAASIMGAM2FAAH
SCHEMBL29046206 0.79 FAAH (0.34) MGAMGAASIMGAM2FAAH
SCHEMBL11599095 0.78 DGKA (0.54) FAAHCYP2C19L3MBTL1ALDH1A1ADRA2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251158-A1 FULLERENE THERAPIES FOR INFLAMMATION AND INHIBITION OF BUILD-UP OF ARTERIAL PLAQUE LUNA INNOVATIONS INCORPORATED (US) 2011-10-13 US disclosed
US-20050267102-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-01 US disclosed
EP-0923530-B1 INHIBITION OF MATRIX METALLOPROTEASES BY SUBSTITUTED BIARYL OXOBUTYRIC ACIDS BAYER AG (US) 2004-09-01 EP disclosed
US-6762184-B2 RHEUMATIC DISEASES; ORAL ISEASES; VISION DEFECTS; ANTIINFLAMMATORY AGENTS BAYER PHARMACEUTICALS CORPORATION 2004-07-13 US disclosed
US-6500847-B2 RHEUMATIC DISEASES; ORAL ISEASES; VISION DEFECTS; ANTIINFLAMMATORY AGENTS BAYER CORPORATION 2002-12-31 US disclosed
US-20020042417-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids BAYER PHARMACEUTICALS CORPORATION 2002-04-11 US disclosed
US-20020042418-A1 Inhibition of matrix metalloproteases by substitued biaryl oxobutyric acides BAYER PHARMACEUTICALS CORPORATION 2002-04-11 US disclosed
US-6225314-B1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids BAYER CORPORATION 2001-05-01 US disclosed
US-5925637-A ENZYME INHIBITORS AS ANTIARTHRITIC AGENTS OR CARDIOVASCULAR DISORDERS BAYER CORPORATION (US) 1999-07-20 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 (4 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-20020042417-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids ADAMTS5, ADAMTS1, MMP13 MGAM 190/4885GAA 315/4885SI 121/4885
US-20050267102-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids MMP20, ADAMTS5, MMP10 MGAM 203/4885GAA 434/4885SI 137/4885
US-20110251158-A1 FULLERENE THERAPIES FOR INFLAMMATION AND INHIBITION OF BUILD-UP OF ARTERIAL PLAQUE IL1B, IL1A, CD68 MGAM 4348/4885GAA 2992/4885SI 4489/4885
US-20020042418-A1 Inhibition of matrix metalloproteases by substitued biaryl oxobutyric acides ADAMTS5, ADAMTS1, ADAMTS4 MGAM 123/4885GAA 228/4885SI 160/4885

“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.