SCHEMBL5503977

SCHEMBL5503977

CC(C)(C)OC(=O)NCCCCCC(=O)N[C@@H]1C[C@@H](C(=O)O)N(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.66
MMP9 P14780 5/20 0.66
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
CYP3A4 P08684 1/20 0.42
GBA1 P04062 1/20 0.41
MMP3 P08254 2/20 0.41
MMP1 P03956 1/20 0.41
MMP7 P09237 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL5414567 0.93 MMP2 (0.67) MMP2MMP9CA1CA2TLR2
SCHEMBL13282819 0.93 MMP2 (0.67) MMP2MMP9CA1CA2TLR2
SCHEMBL13254807 0.82 MMP2 (0.48) MMP2MMP9CA1CA2CA12
SCHEMBL13282820 0.81 MMP2 (0.59) MMP2MMP9CA1CA2CA12
SCHEMBL13254809 0.81 MMP2 (0.59) MMP2MMP9CA1CA2CA12
SCHEMBL13254806 0.76 MMP2 (0.54) MMP2MMP9CA1CA2CA12
SCHEMBL7072474 0.76 MMP2 (0.51) MMP2MMP9CA1CA2CA12
SCHEMBL7072473 0.76 MMP2 (0.51) MMP2MMP9CA1CA2CA12
SCHEMBL13282810 0.76 MMP2 (0.54) MMP2MMP9CA1CA2CA12
SCHEMBL13282821 0.75 MMP2 (0.47) MMP2MMP9TLR2TLR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196112-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2007-03-27 US disclosed
US-20070066533-A1 Cell adhesion inhibitors LEE WEN-CHERNG 2007-03-22 US disclosed
US-20070066533-A1 Cell adhesion inhibitors LEE WEN-CHERNG 2007-03-22 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-20070066533-A1 Cell adhesion inhibitors VCAM1, EPCAM, ICAM1 MMP2 611/4885MMP9 741/4885CA1 2937/4885

“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.