SCHEMBL5562691

SCHEMBL5562691

C=CCC(NC(=O)C(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.43
FOLH1 Q04609 3/20 0.37
NAALAD2 Q9Y3Q0 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MME P08473 3/20 0.37
MMP2 P08253 6/20 0.36
MMP3 P08254 6/20 0.36
MMP7 P09237 5/20 0.36
ECE1 P42892 1/20 0.36
MMP1 P03956 5/20 0.35
MMP8 P22894 2/20 0.35
ADAM17 P78536 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5564073 0.85 MMP2 (0.41) ACEMMP2MMP3MMP7MMP1
SCHEMBL22540214 0.81 ACE (0.38) ACEFOLH1NAALAD2ALDH1A1MME
SCHEMBL713231 0.80 MAPT (0.55) FOLH1NAALAD2ALDH1A1GRIK1GRIK2
SCHEMBL15497996 0.80 MAPT (0.55) FOLH1NAALAD2ALDH1A1GRIK1GRIK2
SCHEMBL13465715 0.80 MAPT (0.55) FOLH1NAALAD2ALDH1A1GRIK1GRIK2
SCHEMBL19331544 0.80 SLC7A5 (0.47) ALDH1A1MMEMMP2MMP3MMP7
SCHEMBL19331539 0.80 SLC7A5 (0.47) ALDH1A1MMEMMP2MMP3MMP7
SCHEMBL24095562 0.80 NMT2 (0.41) FOLH1
SCHEMBL2980818 0.79 HDAC8 (0.44) ACEFOLH1MMEGRIK1GRIK2
SCHEMBL5564199 0.79 KMT2A (0.40) ALDH1A1MMP2MMP3MMP7MMP1

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
EP-1572203-B1 SUBSTITUTED 4-ALKOXYOXAZOL DERIVATIVES AS PPAR AGONISTS HOFFMANN LA ROCHE (CH) 2007-11-07 EP disclosed
US-7109225-B2 Antidiabetic agents; hypotensive agents; anticholesterol agents; antilipemic agents; antiinflammatory agents; antiproliferative agents HOFMANN-LA ROCHE INC. (US) 2006-09-19 US disclosed
EP-1572203-A1 SUBSTITUTED 4-ALKOXYOXAZOL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
US-20040157898-A1 Novel substituted oxazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-08-12 US disclosed
WO-2004041275-A1 SUBSTITUTED 4-ALKOXYOXAZOL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 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-20040157898-A1 Novel substituted oxazole derivatives OXA1L, SLC5A1, GPR119 ACE 1511/4885FOLH1 4374/4885NAALAD2 2742/4885

“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.