SCHEMBL6790857

SCHEMBL6790857

CC1(C)CN(Cc2ccc(C(=O)N[C@@H]3CNC[C@@H]3C(=O)NO)cc2)c2ccccc2S1(O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.49
MMP12 P39900 3/20 0.49
MMP7 P09237 2/20 0.49
MMP2 P08253 1/20 0.48
ADAM17 P78536 3/20 0.47
HDAC6 Q9UBN7 7/20 0.42
HDAC1 Q13547 6/20 0.42
HDAC8 Q9BY41 2/20 0.40
HDAC2 Q92769 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
SCHEMBL6790868 0.92 MMP3 (0.49) MMP3MMP12MMP7MMP2ADAM17
SCHEMBL6785012 0.88 ADAM17 (0.48) ADAM17HDAC6HDAC1HDAC8HDAC2
SCHEMBL6790288 0.87 MMP12 (0.43) MMP3MMP12MMP7ADAM17HDAC6
SCHEMBL6796614 0.86 MMP7 (0.41) MMP3MMP12MMP7MMP2ADAM17
SCHEMBL6791710 0.86 MMP7 (0.44) MMP3MMP12MMP7MMP2ADAM17
SCHEMBL6786482 0.85 MMP12 (0.52) MMP3MMP12MMP7MMP2ADAM17
SCHEMBL6790217 0.84 ADAM17 (0.54) MMP3MMP12MMP7MMP2ADAM17
SCHEMBL6790351 0.84 MMP3 (0.49) MMP3MMP12MMP7MMP2ADAM17
SCHEMBL6789621 0.84 ADAM17 (0.53) MMP3MMP12MMP7MMP2ADAM17
SCHEMBL6791004 0.83 ADAM17 (0.42) MMP3MMP12MMP7MMP2ADAM17

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 MMP3 16/4885MMP12 24/4885MMP7 25/4885

“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.