SCHEMBL6842587

SCHEMBL6842587

C[C@@H](NC(=O)OC(C)(C)C)C(=O)NOCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.53
CTSK P43235 3/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
ATM Q13315 2/20 0.52
PPARA Q07869 1/20 0.52
KLK5 Q9Y337 2/20 0.51
KMT2A Q03164 1/20 0.51
SYK P43405 1/20 0.49
REN P00797 2/20 0.48
ACE P12821 1/20 0.48

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
SCHEMBL6842589 1.00 CTSS (0.53) CTSSCTSKCTSLCTSBATM
SCHEMBL7984152 1.00 CTSS (0.53) CTSSCTSKCTSLCTSBATM
SCHEMBL5738490 0.88 CTSS (0.51) CTSSCTSKCTSLCTSBATM
SCHEMBL20516430 0.87 ATM (0.52) CTSSCTSKCTSLCTSBATM
SCHEMBL20516427 0.87 ATM (0.52) CTSSCTSKCTSLCTSBATM
SCHEMBL16453567 0.86 CTSS (0.53) CTSSCTSKCTSLCTSBATM
SCHEMBL10416562 0.86 CTSS (0.53) CTSSCTSKCTSLCTSBATM
SCHEMBL20516388 0.86 CTSS (0.68) CTSSCTSKCTSLCTSBATM
SCHEMBL20516385 0.86 CTSS (0.68) CTSSCTSKCTSLCTSBATM
SCHEMBL16087907 0.85 ATM (0.53) CTSSCTSKCTSLCTSBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6262040-B1 Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the production of tumor necrosis factor (TNF) PFIZER INC 2001-07-17 US 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
EP-0931075-A1 INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER INC. (US) 1999-07-28 EP disclosed
WO-1998009961-A1 INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER INC. (US) 1998-03-12 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 CTSS 405/4885CTSK 508/4885CTSL 549/4885

“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.