SCHEMBL6740438

SCHEMBL6740438

COC(=O)[C@@H](C)N(C)C(=O)C(C)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.53
NPY5R Q15761 1/20 0.52
LTA4H P09960 2/20 0.51
NOX1 Q9Y5S8 1/20 0.50
PRKCA P17252 2/20 0.49
PRKCD Q05655 2/20 0.49
ACACB O00763 1/20 0.49
MAOB P27338 1/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6740442 1.00 ALOX5 (0.53) ALOX5NPY5RLTA4HNOX1PRKCA
SCHEMBL6744392 0.90 ALOX5 (0.55) ALOX5NPY5RLTA4HPRKCAPRKCD
SCHEMBL6744398 0.90 ALOX5 (0.55) ALOX5NPY5RLTA4HPRKCAPRKCD
SCHEMBL6739031 0.88 ALOX5 (0.51) ALOX5NPY5RLTA4HACACBMAOB
SCHEMBL6740459 0.86 PARP10 (0.48) NPY5RLTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL6740453 0.86 PARP10 (0.48) NPY5RLTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL6740456 0.86 PARP10 (0.48) NPY5RLTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL6266373 0.86 LTA4H (0.59) ALOX5LTA4HACACBMAOBLMNA
SCHEMBL17602045 0.83 NOX1 (0.53) ALOX5NPY5RLTA4HNOX1ACACB
SCHEMBL6741799 0.81 PRKCA (0.46) ALOX5NPY5RLTA4HNOX1PRKCA

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 5 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
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 ALOX5 1499/4885NPY5R 2786/4885LTA4H 748/4885

“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.