SCHEMBL6744986

SCHEMBL6744986

CC(C)[C@H](C(=O)NO)N(C)C(=O)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.50
▸ HSD11B1 P28845 9/20 0.46
▸ NCOA1 Q15788 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ AVPR1A P37288 3/20 0.41
▸ FFAR2 O15552 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CCR2 P41597 1/20 0.37

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
SCHEMBL6744990 1.00 HDAC4 (0.50) HDAC4HSD11B1NCOA1LMNAMAPT
SCHEMBL6742036 0.98 HDAC4 (0.53) HDAC4HSD11B1NCOA1LMNAMAPT
SCHEMBL6742042 0.98 HDAC4 (0.53) HDAC4HSD11B1NCOA1LMNAMAPT
SCHEMBL6739879 0.95 HDAC4 (0.46) HDAC4HSD11B1NCOA1LMNAMAPT
SCHEMBL6739882 0.95 HDAC4 (0.46) HDAC4HSD11B1NCOA1LMNAMAPT
SCHEMBL6744138 0.84 HSD11B1 (0.43) HDAC4HSD11B1LMNAMAPTHDAC1
SCHEMBL6744143 0.84 HSD11B1 (0.43) HDAC4HSD11B1LMNAMAPTHDAC1
SCHEMBL6736774 0.82 HDAC4 (0.43) HDAC4HDAC1
SCHEMBL6736770 0.82 HDAC4 (0.43) HDAC4HDAC1
SCHEMBL6744404 0.81 MMP2 (0.46) NCOA1MAPTAVPR1A

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 1122/4885NCOA1 3224/4885

“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