SCHEMBL6723220

SCHEMBL6723220

CCOC(=O)C(Nc1ccc(Br)cc1)C(=O)OCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.63
CA1 P00915 5/20 0.63
CA2 P00918 5/20 0.63
CA9 Q16790 5/20 0.63
GAA P10253 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
NHERF1 O14745 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 2/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
DHODH Q02127 1/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL5783774 0.86 CA12 (0.67) CA12CA1CA2CA9GAA
SCHEMBL16197782 0.85 GAA (0.49) CA12CA1CA2CA9GAA
SCHEMBL28963403 0.83 GAA (0.51) CA12CA1CA2CA9GAA
Hydrochloric Acid SCHEMBL4532062 0.83 GAA (0.48) CA12CA1CA2CA9GAA
SCHEMBL11406256 0.83 CA12 (0.63) CA12CA1CA2CA9MAPT
SCHEMBL11169256 0.83 CA12 (0.63) CA12CA1CA2CA9GAA
SCHEMBL3411918 0.83 CA12 (0.63) CA12CA1CA2CA9GAA
SCHEMBL2960871 0.82 CA12 (0.62) CA12CA1CA2CA9GAA
SCHEMBL13899869 0.82 CA12 (0.44) CA12CA1CA2CA9GAA
SCHEMBL28818049 0.81 CA1 (0.61) CA12CA1CA2CA9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040024001-A1 Spirobarbituric acid derivatives useful as inhibitors of matrix metalloproteases BRISTOL-MYERS SQUIBB COMPANY 2004-02-05 US disclosed
WO-2003091252-A1 SPIROBARBITURIC ACID DERIVATIVES USEFUL AS INHIBITORS OF MATRIX METALLOPROTEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-06 WO 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-20040024001-A1 Spirobarbituric acid derivatives useful as inhibitors of matrix metalloproteases MMP13, MMP3, MMP1 CA12 154/4885CA1 262/4885CA2 485/4885

“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.