SCHEMBL6744138

SCHEMBL6744138

Cc1ccc(C2(C(=O)N(C)[C@@H](C(=O)NO)C(C)C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ MMP9 P14780 4/20 0.39
▸ MMP13 P45452 4/20 0.39
▸ MMP2 P08253 3/20 0.39
▸ MMP8 P22894 3/20 0.39
▸ ANPEP P15144 1/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ EP300 Q09472 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTR1E P28566 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL6744143 1.00 HSD11B1 (0.43) HSD11B1CYP3A4CYP2D6CYP2C9MMP9
SCHEMBL6739882 0.88 HDAC4 (0.46) HSD11B1HDAC1MAPTHDAC4LMNA
SCHEMBL6739879 0.88 HDAC4 (0.46) HSD11B1HDAC1MAPTHDAC4LMNA
SCHEMBL6736770 0.88 HDAC4 (0.43) MMP9MMP13MMP2MMP8HDAC1
SCHEMBL6736774 0.88 HDAC4 (0.43) MMP9MMP13MMP2MMP8HDAC1
SCHEMBL6744410 0.86 MMP2 (0.46) MMP9MMP13MMP2MMP8EP300
SCHEMBL6744404 0.86 MMP2 (0.46) MMP9MMP13MMP2MMP8EP300
SCHEMBL6742036 0.84 HDAC4 (0.53) HSD11B1HDAC1EP300MAPTNPSR1
SCHEMBL6744986 0.84 HDAC4 (0.50) HSD11B1HDAC1MAPTHDAC4LMNA
SCHEMBL6744990 0.84 HDAC4 (0.50) HSD11B1HDAC1MAPTHDAC4LMNA

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 HSD11B1 1122/4885CYP3A4 4324/4885CYP2D6 3910/4885

“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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