SCHEMBL4638138

SCHEMBL4638138

COc1ccc(CC(CC(=O)O)C(=O)O)c(CN(CC(F)(F)F)C(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
EPHX2 P34913 5/20 0.38
PPARG P37231 3/20 0.38
KEAP1 Q14145 3/20 0.34
NFE2L2 Q16236 1/20 0.34
CETP P11597 2/20 0.34
HSD17B10 Q99714 1/20 0.34
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4638135 1.00 CYP1A2 (0.39) CYP1A2CYP2C9EPHX2PPARGKEAP1
SCHEMBL6418597 0.92 EPHX2 (0.35) CYP1A2CYP2C9EPHX2PPARGCETP
SCHEMBL6418121 0.83 POLB (0.49) PPARGKEAP1NFE2L2HSD17B10LPAR1
SCHEMBL6418683 0.80 SSTR4 (0.39) EPHX2CETPHSD17B10LPAR1LPAR5
SCHEMBL7402677 0.79 EPHX2 (0.36) EPHX2PPARGCETPALDH1A1
SCHEMBL6423170 0.78 ALDH1A1 (0.37) CYP1A2CYP2C9EPHX2PPARGKEAP1
SCHEMBL6420626 0.78 POLB (0.38) EPHX2CETPHSD17B10ALDH1A1KMT2A
SCHEMBL7450078 0.78 MTNR1A (0.46) EPHX2CETPLPAR1LPAR5ALDH1A1
SCHEMBL2803839 0.77 ALDH1A1 (0.39) CYP1A2CYP2C9KEAP1HSD17B10ALDH1A1
SCHEMBL7370769 0.77 PTGER4 (0.43) KEAP1NFE2L2ALDH1A1KMT2A

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-1628949-A4 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORP (US) 2008-07-02 EP disclosed
US-7368566-B2 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION (US) 2008-05-06 US disclosed
US-20060194786-A1 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
EP-1628949-A2 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2006-03-01 EP disclosed
WO-2004089890-A2 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2004-10-21 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-20060194786-A1 Process and intermediates for preparing benzazepines CYP2E1, CYP1B1, CYP3A4 CYP1A2 4/4885CYP2C9 8/4885EPHX2 773/4885

“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.