SCHEMBL6740775

SCHEMBL6740775

COC(=O)[C@H](C)N(C)C(=O)[C@H](CC(=O)O)c1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.46
PPARG P37231 1/20 0.46
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
TACR1 P25103 1/20 0.41
ADAM17 P78536 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
NR4A2 P43354 1/20 0.40

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
SCHEMBL6740777 1.00 FFAR1 (0.46) FFAR1PPARGMMEACECPA1
SCHEMBL6742639 0.91 MAPT (0.43) FFAR1PPARGMMEACECPA1
SCHEMBL6742642 0.91 MAPT (0.43) FFAR1PPARGMMEACECPA1
SCHEMBL6740435 0.89 PSEN1 (0.42) FFAR1PPARGMMEACECPA1
SCHEMBL6740432 0.89 PSEN1 (0.42) FFAR1PPARGMMEACECPA1
SCHEMBL6740445 0.85 MAPT (0.47) FFAR1PPARGMMEACECPA1
SCHEMBL6740450 0.85 MAPT (0.47) FFAR1PPARGMMEACECPA1
SCHEMBL6742857 0.82 ADAM17 (0.47) FFAR1PPARGMMEACECPA1
SCHEMBL6742070 0.82 ADAM17 (0.47) FFAR1PPARGMMEACECPA1
SCHEMBL6740219 0.81 ADAM17 (0.46) FFAR1PPARGMMEACECPA1

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 FFAR1 2386/4885PPARG 4339/4885MME 219/4885

“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.