SCHEMBL6742042

SCHEMBL6742042

CC(C)C(C(=O)NO)N(C)C(=O)C1(c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.53
▸ HSD11B1 P28845 6/20 0.46
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ NCOA1 Q15788 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ AVPR1A P37288 2/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ EP300 Q09472 1/20 0.38

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
SCHEMBL6742036 1.00 HDAC4 (0.53) HDAC4HSD11B1MAPTLMNAHDAC1
SCHEMBL6744990 0.98 HDAC4 (0.50) HDAC4HSD11B1MAPTLMNAHDAC1
SCHEMBL6744986 0.98 HDAC4 (0.50) HDAC4HSD11B1MAPTLMNAHDAC1
SCHEMBL6739882 0.95 HDAC4 (0.46) HDAC4HSD11B1MAPTLMNAHDAC1
SCHEMBL6739879 0.95 HDAC4 (0.46) HDAC4HSD11B1MAPTLMNAHDAC1
SCHEMBL6744143 0.84 HSD11B1 (0.43) HDAC4HSD11B1MAPTLMNAHDAC1
SCHEMBL6744138 0.84 HSD11B1 (0.43) HDAC4HSD11B1MAPTLMNAHDAC1
SCHEMBL6736770 0.82 HDAC4 (0.43) HDAC4HDAC1ALDH1A1SMN1; SMN2
SCHEMBL6736774 0.82 HDAC4 (0.43) HDAC4HDAC1ALDH1A1SMN1; SMN2
SCHEMBL6744410 0.81 MMP2 (0.46) MAPTNCOA1ALDH1A1AVPR1ASMN1; SMN2

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 7 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
JP-2002541138-A — — 2002-12-03 — — JP claimed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 — — EP claimed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 — — WO 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

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 360/4885HSD11B1 1122/4885MAPT 2281/4885

“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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