SCHEMBL2867696

SCHEMBL2867696

CC(C)(C)OC(=O)NC(CCCc1ccc([N+](=O)[O-])cn1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.51
PPARG P37231 2/20 0.51
ITGAV P06756 2/20 0.44
ITGB6 P18564 2/20 0.44
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTSK P43235 5/20 0.41
TGM2 P21980 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
GSTP1 P09211 1/20 0.40
GSTM2 P28161 1/20 0.40
CTSS P25774 1/20 0.38
ACE P12821 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL2867690 1.00 PPARA (0.51) PPARAPPARGITGAVITGB6ALDH1A1
SCHEMBL27589045 0.87 PPARA (0.54) PPARAPPARGCYP2C19CTSKITGB3
SCHEMBL2983425 0.87 PPARA (0.54) PPARAPPARGCYP2C19CTSKITGB3
SCHEMBL2983423 0.87 PPARA (0.54) PPARAPPARGCYP2C19CTSKITGB3
SCHEMBL2864718 0.83 ITGAV (0.47) PPARAPPARGITGAVITGB6ALDH1A1
SCHEMBL2864714 0.83 ITGAV (0.47) PPARAPPARGITGAVITGB6ALDH1A1
SCHEMBL2861817 0.82 TGM2 (0.55) ITGAVTGM2ITGB3HDAC1
SCHEMBL2861823 0.82 TGM2 (0.55) ITGAVTGM2ITGB3HDAC1
SCHEMBL5869563 0.80 GSTP1 (0.50) PPARAPPARGALDH1A1CYP2C19CTSK
SCHEMBL6544522 0.78 ITGAV (0.46) PPARAPPARGITGAVITGB6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750162-B2 Process for preparation of nonnatural amino acid and intermediate thereof DAISO CO., LTD. (JP) 2010-07-06 US disclosed
US-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof DAISO CO., LTD. (JP) 2007-09-06 US disclosed
EP-1739077-A1 PROCESS FOR PRODUCTION OF NONNATURAL AMINO ACIDS AND INTERMEDIATES THEREFOR DAISO CO., LTD. (JP) 2007-01-03 EP 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-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof BCAT1, BCAT2, AADAT PPARA 2299/4885PPARG 2831/4885ITGAV 4121/4885

“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.