SCHEMBL6805403

SCHEMBL6805403

COC(=O)C1Cc2nccnc2CN1C(=O)Cc1ccc(OCc2cc(C)nc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.52
MMP3 P08254 1/20 0.47
MMP13 P45452 1/20 0.46

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
SCHEMBL6804255 0.91 ADAM17 (0.61) ADAM17MMP3
SCHEMBL6806020 0.83 ADAM17 (0.58) ADAM17MMP3
SCHEMBL6809222 0.83 ADAM17 (0.59) ADAM17MMP3
SCHEMBL6804923 0.82 ADAM17 (0.58) ADAM17MMP3
SCHEMBL6741079 0.80 ADAM17 (0.62) ADAM17MMP3
SCHEMBL6804930 0.80 ADAM17 (0.57) ADAM17MMP3
SCHEMBL6801082 0.77 ADAM17 (0.62) ADAM17MMP13
Trifluoroacetic Acid SCHEMBL6737321 0.77 ADAM17 (0.57) ADAM17MMP3
SCHEMBL6741074 0.76 ADAM17 (0.68) ADAM17MMP3
SCHEMBL6737327 0.76 ADAM17 (0.49) ADAM17MMP3

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-6770647-B2 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed
US-20030130257-A1 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-10 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-20030130257-A1 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, ADAM17, MMP1 ADAM17 2/4885MMP3 7/4885MMP13 17/4885

“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.