SCHEMBL6736770

SCHEMBL6736770

CC(C)[C@H](C(=O)NO)N(C)C(=O)C1(c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 3/20 0.43
▸ MMP2 P08253 10/20 0.42
▸ MMP9 P14780 10/20 0.42
▸ MMP1 P03956 6/20 0.42
▸ SIGMAR1 Q99720 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MMP8 P22894 5/20 0.40
▸ MMP13 P45452 4/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MMP14 P50281 3/20 0.39
▸ ADAM17 P78536 3/20 0.39
▸ MMP3 P08254 2/20 0.39
▸ MMP16 P51512 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC9 Q9UKV0 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
SCHEMBL6736774 1.00 HDAC4 (0.43) HDAC4MMP2MMP9MMP1SIGMAR1
SCHEMBL6744143 0.88 HSD11B1 (0.43) HDAC4MMP2MMP9MMP1MMP8
SCHEMBL6744138 0.88 HSD11B1 (0.43) HDAC4MMP2MMP9MMP1MMP8
SCHEMBL6739882 0.87 HDAC4 (0.46) HDAC4ALDH1A1SMN1; SMN2HDAC1
SCHEMBL6739879 0.87 HDAC4 (0.46) HDAC4ALDH1A1SMN1; SMN2HDAC1
SCHEMBL6744410 0.85 MMP2 (0.46) MMP2MMP9MMP1ALDH1A1MMP8
SCHEMBL6744404 0.85 MMP2 (0.46) MMP2MMP9MMP1ALDH1A1MMP8
SCHEMBL6742036 0.82 HDAC4 (0.53) HDAC4ALDH1A1SMN1; SMN2HDAC1
SCHEMBL6744986 0.82 HDAC4 (0.50) HDAC4HDAC1
SCHEMBL6744990 0.82 HDAC4 (0.50) HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase DUAN JINGWU (US) 2003-02-13 — — US claimed
US-6689771-B2 TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 — — US disclosed
US-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase DUAN JINGWU (US) 2003-02-13 — — US disclosed
US-6376665-B1 ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-23 — — US disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 — — EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 — — WO 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-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase TNF, MMP1, ADAMTS1 HDAC4 360/4885MMP2 7/4885MMP9 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.

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