SCHEMBL6741455

SCHEMBL6741455

Cc1cc(C)cc(COc2ccc(CC(=O)N(C)[C@@H](C(=O)NO)C(C)C)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.47
MMP1 P03956 4/20 0.47
MMP9 P14780 3/20 0.47
PARP10 Q53GL7 1/20 0.45
ADAM17 P78536 2/20 0.45
ALOX5 P09917 5/20 0.44
MMP13 P45452 4/20 0.43
MMP3 P08254 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
MMP16 P51512 1/20 0.43
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
TSPO P30536 1/20 0.39

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
SCHEMBL6740997 0.87 ALOX5 (0.62) MMP2MMP9ALOX5MMP13MMP8
SCHEMBL6736935 0.81 MMP2 (0.49) MMP2MMP1MMP9ALOX5MMP13
SCHEMBL6736537 0.75 PARP10 (0.49) MMP2MMP1MMP9PARP10ADAM17
SCHEMBL6736535 0.75 PARP10 (0.49) MMP2MMP1MMP9PARP10ADAM17
SCHEMBL6736540 0.75 PARP10 (0.49) MMP2MMP1MMP9PARP10ADAM17
SCHEMBL6742063 0.72 MAPT (0.42)
SCHEMBL6830379 0.72 ALOX5 (0.53) ALOX5LTB4RLTB4R2
SCHEMBL6831402 0.72 ALOX5 (0.53) ALOX5LTB4RLTB4R2
SCHEMBL6827714 0.72 ALOX5 (0.53) ALOX5LTB4RLTB4R2
SCHEMBL6831056 0.70 EPOR (0.56) ALOX5LTB4RLTB4R2

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 7 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
JP-2002541138-A 2002-12-03 JP claimed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP claimed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO 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 MMP2 7/4885MMP1 2/4885MMP9 6/4885

“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.