SCHEMBL6790813

SCHEMBL6790813

Cc1c(C)n(Cc2ccc(C(=O)N[C@@H]3CNC[C@@H]3C(=O)NO)cc2)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.66
HDAC6 Q9UBN7 4/20 0.66
HDAC10 Q969S8 2/20 0.66
HDAC3 O15379 1/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
NCOR2 Q9Y618 1/20 0.66
MMP3 P08254 4/20 0.59
MMP12 P39900 4/20 0.59
MMP7 P09237 3/20 0.59
MMP2 P08253 1/20 0.58
ADAM17 P78536 3/20 0.57
MMP10 P09238 1/20 0.47
MMP8 P22894 1/20 0.47
PPARG P37231 2/20 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
SCHEMBL6791089 0.86 HDAC1 (0.64) HDAC1HDAC6HDAC10HDAC3HDAC2
SCHEMBL6789924 0.84 HDAC1 (0.62) HDAC1HDAC6HDAC10HDAC3HDAC2
SCHEMBL6791038 0.84 ADAM17 (0.64) HDAC1HDAC6HDAC10HDAC3HDAC2
SCHEMBL6789728 0.82 MMP12 (0.67) HDAC1HDAC6MMP3MMP12MMP7
SCHEMBL6784614 0.81 MMP3 (0.69) MMP3MMP12MMP7MMP2ADAM17
SCHEMBL12472746 0.80 HDAC6 (1.00) HDAC1HDAC6HDAC10HDAC3HDAC2
SCHEMBL6790073 0.80 ADAM17 (0.60) HDAC1HDAC6MMP3MMP12MMP7
SCHEMBL6491601 0.80 MMP2 (0.57) HDAC1HDAC6HDAC10HDAC3HDAC2
SCHEMBL6796748 0.79 ADAM17 (0.57) HDAC1HDAC6MMP3MMP12MMP7
SCHEMBL6797124 0.79 ADAM17 (0.55) HDAC1HDAC6HDAC10HDAC2HDAC8

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 HDAC1 57/4885HDAC6 249/4885HDAC10 264/4885

“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.