SCHEMBL6744396

SCHEMBL6744396

C[C@@H](Oc1ccc(CC(=O)N(C)[C@@H](C)C(=O)O)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.56
NPY5R Q15761 1/20 0.56
LTB4R Q15722 7/20 0.51
LTB4R2 Q9NPC1 7/20 0.51
S1PR5 Q9H228 2/20 0.49
S1PR1 P21453 1/20 0.49
ALOX5 P09917 3/20 0.48
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
OPRK1 P41145 1/20 0.43
CNR2 P34972 1/20 0.42

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
SCHEMBL6740440 0.90 FFAR1 (0.54) FFAR1NPY5RLTB4RLTB4R2S1PR5
SCHEMBL6737349 0.88 FFAR1 (0.52) FFAR1NPY5RLTB4RLTB4R2S1PR5
SCHEMBL5966848 0.82 TSHR (0.50) NPY5RALOX5CYP3A4CYP2D6TSHR
SCHEMBL4565148 0.81 FFAR1 (0.73) FFAR1LTB4RLTB4R2S1PR5S1PR1
SCHEMBL27662443 0.81 FFAR1 (0.73) FFAR1LTB4RLTB4R2S1PR5S1PR1
SCHEMBL27662594 0.81 FFAR1 (0.73) FFAR1LTB4RLTB4R2S1PR5S1PR1
SCHEMBL11661233 0.73 FFAR1 (0.66) FFAR1LTB4RLTB4R2S1PR5S1PR1
SCHEMBL6741795 0.72 NPY5R (0.45) FFAR1NPY5RALOX5OPRK1CNR2
SCHEMBL6904351 0.72 FFAR1 (0.61) FFAR1LTB4RLTB4R2S1PR5S1PR1
SCHEMBL14114020 0.71 FFAR1 (0.62) FFAR1LTB4RLTB4R2S1PR5S1PR1

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 2386/4885NPY5R 2786/4885LTB4R 2613/4885

“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.