SCHEMBL7047182

SCHEMBL7047182

CC(C)CCN(C(=O)OCc1ccccc1)C(=O)N(CCCc1ccccc1)C(=O)c1nc(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)co1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 5/20 0.39
TP53 P04637 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CES1 P23141 1/20 0.33
EPHX2 P34913 2/20 0.31
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL7047180 0.86 P2RX7 (0.37) DAGLAEPHX2EPHX1
SCHEMBL7049295 0.82 DAGLA (0.41) DAGLACES1
SCHEMBL7558531 0.81 DAGLA (0.39) DAGLAUSP2MAPK1SMN1; SMN2
SCHEMBL7183270 0.79 MGLL (0.40) SMN1; SMN2
SCHEMBL7044843 0.77 L3MBTL1 (0.39) DAGLATP53HSD17B10EPHX2ALDH1A1
SCHEMBL7047979 0.77 TBXA2R (0.41) DAGLAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6062848 0.77 DAGLA (0.39) DAGLATP53USP2ALOX15TSHR
SCHEMBL7186571 0.76 MASP2 (0.38) DAGLAMAPK1ALDH1A1
SCHEMBL7046959 0.74 DAGLA (0.45) DAGLACES1
SCHEMBL6467926 0.72 DAGLA (0.44) DAGLANPSR1CES1ALDH1A1

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ DAGLA 2304/4885TP53 375/4885USP2 214/4885

“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.