SCHEMBL6467942

SCHEMBL6467942

CS(=O)(=O)NC(CC(=O)NCCCCC(=O)c1nc2ccccc2o1)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 16/20 0.52
FAAH O00519 9/20 0.52
CES1 P23141 6/20 0.52
XDH P47989 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 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
SCHEMBL7116658 0.84 FAAH (0.38) DAGLAFAAHCES1XDHALDH1A1
SCHEMBL7044356 0.83 CTSS (0.37) DAGLAFAAHCES1XDH
SCHEMBL7048633 0.82 DAGLA (0.48) DAGLAFAAHCES1
SCHEMBL6468442 0.78 DAGLA (0.55) DAGLAFAAHCES1XDH
SCHEMBL6462869 0.77 DAGLA (0.52) DAGLAFAAHCES1XDH
SCHEMBL6062834 0.77 DAGLA (0.56) DAGLAFAAHCES1ALDH1A1
SCHEMBL6062952 0.75 DAGLA (0.52) DAGLAFAAHCES1XDHALDH1A1
SCHEMBL6631047 0.75 DAGLA (0.52) DAGLAFAAHCES1XDHALDH1A1
SCHEMBL27805184 0.75 DAGLA (0.67) DAGLAFAAHCES1
SCHEMBL6061613 0.75 DAGLA (0.51) DAGLAFAAHCES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP claimed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US claimed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US claimed
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
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 2304/4885FAAH 479/4885CES1 272/4885

“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.