SCHEMBL7042166

SCHEMBL7042166

CC(=O)N[C@@H](CC(C)C)[C@@](CCCc1ccccc1)(C(=O)c1nc2ccccc2o1)S(N)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.44
FAAH O00519 1/20 0.44
CES1 P23141 1/20 0.44
CTSS P25774 11/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CTSK P43235 2/20 0.42
XDH P47989 3/20 0.40
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PRSS8 Q16651 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
SCHEMBL6062562 1.00 DAGLA (0.44) DAGLAFAAHCES1CTSSCTSL
SCHEMBL7045289 0.89 PRSS8 (0.45) DAGLAFAAHCES1CTSSCTSL
SCHEMBL7415173 0.78 PRSS8 (0.41) DAGLAFAAHCES1CTSSCTSL
SCHEMBL7045325 0.74 DAGLA (0.44) DAGLAFAAHCES1CTSSCTSL
SCHEMBL7045318 0.74 CTSS (0.45) DAGLAFAAHCES1CTSSCTSL
SCHEMBL7044871 0.71 FAAH (0.40) DAGLAFAAHCES1CTSSCTSL
SCHEMBL7045322 0.69 CTSS (0.47) DAGLAFAAHCES1CTSSCTSL
SCHEMBL5426599 0.69 DAGLA (0.54) DAGLAFAAHCES1XDHCYP2C9
SCHEMBL14562865 0.69 DAGLA (0.54) DAGLAFAAHCES1XDHCYP2C9
SCHEMBL6632064 0.68 FAAH (0.37) DAGLAFAAHCES1CTSSXDH

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 2304/4885FAAH 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.