SCHEMBL6739882

SCHEMBL6739882

CC(C)C(C(=O)NO)N(C)C(=O)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 2/20 0.46
▸ HSD11B1 P28845 6/20 0.44
▸ AVPR1A P37288 4/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ NCOA1 Q15788 1/20 0.37
▸ CCR1 P32246 1/20 0.36
▸ OXTR P30559 1/20 0.36
▸ CCR2 P41597 1/20 0.36

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
SCHEMBL6739879 1.00 HDAC4 (0.46) HDAC4HSD11B1AVPR1ALMNAMAPT
SCHEMBL6742042 0.95 HDAC4 (0.53) HDAC4HSD11B1AVPR1ALMNAMAPT
SCHEMBL6744990 0.95 HDAC4 (0.50) HDAC4HSD11B1AVPR1ALMNAMAPT
SCHEMBL6744986 0.95 HDAC4 (0.50) HDAC4HSD11B1AVPR1ALMNAMAPT
SCHEMBL6742036 0.95 HDAC4 (0.53) HDAC4HSD11B1AVPR1ALMNAMAPT
SCHEMBL6744143 0.88 HSD11B1 (0.43) HDAC4HSD11B1LMNAMAPTHDAC1
SCHEMBL6744138 0.88 HSD11B1 (0.43) HDAC4HSD11B1LMNAMAPTHDAC1
SCHEMBL6736774 0.87 HDAC4 (0.43) HDAC4ALDH1A1SMN1; SMN2HDAC1
SCHEMBL6736770 0.87 HDAC4 (0.43) HDAC4ALDH1A1SMN1; SMN2HDAC1
SCHEMBL6744404 0.85 MMP2 (0.46) AVPR1AMAPTALDH1A1SMN1; SMN2NCOA1

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-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

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 1122/4885AVPR1A 1784/4885

“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.

Send feedback