SCHEMBL6790909

SCHEMBL6790909

CC(C)CN1C[C@H](C(=O)NO)[C@H](NC(=O)c2ccc(CN3CCS(O)(O)c4ccccc43)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.55
MMP2 P08253 2/20 0.43
MMP3 P08254 3/20 0.42
MMP7 P09237 3/20 0.42
MMP12 P39900 3/20 0.42
MMP10 P09238 2/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MMP8 P22894 1/20 0.39

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
SCHEMBL6790915 0.93 ADAM17 (0.54) ADAM17MMP2MMP3MMP7MMP12
SCHEMBL6788696 0.89 ADAM17 (0.55) ADAM17MMP2MMP3MMP7MMP12
SCHEMBL6789483 0.88 MMP7 (0.42) ADAM17MMP2MMP3MMP7MMP12
SCHEMBL6789235 0.88 ADAM17 (0.52) ADAM17MMP2MMP3MMP7MMP12
SCHEMBL6790207 0.88 MMP2 (0.42) ADAM17MMP2MMP3MMP7MMP12
SCHEMBL6790217 0.87 ADAM17 (0.54) ADAM17MMP2MMP3MMP7MMP12
SCHEMBL6791414 0.87 ADAM17 (0.56) ADAM17MMP2MMP3MMP7MMP12
SCHEMBL6796421 0.87 ADAM17 (0.54) ADAM17MMP2MMP3MMP7MMP12
SCHEMBL6792367 0.86 MMP2 (0.47) ADAM17MMP2MMP3MMP7MMP12
SCHEMBL6790221 0.85 ADAM17 (0.54) ADAM17MMP2MMP3MMP7MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6740649-B2 ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS BRISTOL-MYERS SQUIBB COMPANY 2004-05-25 US claimed
US-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-07-24 US claimed
US-6740649-B2 ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS BRISTOL-MYERS SQUIBB COMPANY 2004-05-25 US disclosed
US-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-07-24 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-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, MMP1, ADAM17 ADAM17 3/4885MMP2 10/4885MMP3 16/4885

“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.