SCHEMBL2292028

SCHEMBL2292028

CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.57
▸ NPY5R Q15761 7/20 0.47
▸ PPARG P37231 7/20 0.46
▸ PPARA Q07869 7/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ PPARD Q03181 2/20 0.45
▸ FFAR1 O14842 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL28520354 0.96 MMP13 (0.54) MMP13NPY5RPPARGPPARAITGB3
SCHEMBL28520356 0.96 MMP13 (0.54) MMP13NPY5RPPARGPPARAITGB3
SCHEMBL2476924 0.90 MMP13 (0.46) MMP13ITGB3ITGA2B
SCHEMBL1401042 0.90 MMP13 (0.46) MMP13ITGB3ITGA2B
SCHEMBL65502 0.90 MMP13 (0.46) MMP13ITGB3ITGA2B
SCHEMBL18248052 0.87 ALDH1A1 (0.48) MMP13PPARGPPARAITGB3ITGA2B
SCHEMBL1401223 0.87 ALDH1A1 (0.48) MMP13PPARGPPARAITGB3ITGA2B
SCHEMBL10785304 0.87 MMP13 (0.43) MMP13PPARGPPARAITGB3ITGA2B
SCHEMBL3776724 0.87 LDHA (0.54) MMP13PPARGPPARAITGB3ITGA2B
SCHEMBL6942693 0.87 LDHA (0.54) MMP13PPARGPPARAITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989480-B2 Aryl amino acid derivatives as inhibitors for treating inflammation DECODE GENETICS EHF (IS) 2011-08-02 — — US disclosed
US-20080033024-A1 ARYL AMINO ACID DERIVATIVES AS INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 — — 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-20080033024-A1 ARYL AMINO ACID DERIVATIVES AS INHIBITORS FOR TREATING INFLAMMATION LTA4H, LTB4R2, LTB4R MMP13 1066/4885NPY5R 1165/4885PPARG 410/4885

“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.

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