SCHEMBL7068818

SCHEMBL7068818

C[C@@H]1O[C@@H](C)CN(S(=O)(=O)c2ccc(OCc3ccncc3)cc2)[C@@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 16/20 0.49
MMP1 P03956 16/20 0.49
MMP3 P08254 2/20 0.49
MMP9 P14780 2/20 0.49
MMP13 P45452 8/20 0.47
ADAMTS4 O75173 1/20 0.45

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
SCHEMBL7068813 1.00 ADAM17 (0.49) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6240560 1.00 ADAM17 (0.49) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6234233 0.90 ADAM17 (0.58) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6237732 0.88 MMP1 (0.54) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL7765006 0.88 MMP1 (0.54) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6236919 0.88 MMP1 (0.54) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6241314 0.88 MMP1 (0.54) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6240863 0.85 ADAM17 (0.54) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6239527 0.85 ADAM17 (0.46) ADAM17MMP1MMP3MMP9MMP13
SCHEMBL6237935 0.84 MMP1 (0.52) ADAM17MMP1MMP3MMP9MMP13

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-20030181441-A1 TACE INHIBITORS McCLURE Kim (US) 2003-09-25 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-20030181441-A1 TACE INHIBITORS ADAMTS5, ADAMTS1, MMP2 ADAM17 22/4885MMP1 18/4885MMP3 6/4885

“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.