SCHEMBL2293590

SCHEMBL2293590

CC(C)(C)C(NC(=O)O)[C@@H](CO)Cc1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 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
FFAR1 O14842 1/20 0.43
PPARG P37231 10/20 0.43
PPARA Q07869 9/20 0.43
NPY5R Q15761 4/20 0.43
PPARD Q03181 2/20 0.43
LTA4H P09960 1/20 0.42
MAPK14 Q16539 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL3777012 0.76 LDHA (0.49) ACACBPPARGPPARA
SCHEMBL17923806 0.76 ACACB (0.69) ACACBMMEACECPA1ACE2
SCHEMBL19112059 0.73 LTA4H (0.56) ACACBFFAR1PPARGPPARANPY5R
SCHEMBL2291516 0.72 ATM (0.59) ACACBACE
SCHEMBL4377299 0.72 NPC1 (0.45)
SCHEMBL16552391 0.71 PCNA (0.58) ACACBMMEACECPA1ACE2
SCHEMBL1682692 0.71 NPC1 (0.47)
SCHEMBL2293365 0.70 CAPN1 (0.53) ACACBFFAR1PPARGPPARA
SCHEMBL1682678 0.70 NPC1 (0.46) LTA4H
SCHEMBL11434236 0.69 LTA4H (0.58) ACACBMMEACECPA1ACE2

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 ACACB 1829/4885MME 1088/4885ACE 151/4885

“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.