SCHEMBL7044871

SCHEMBL7044871

CC(C)CCN(C(=O)OCc1ccccc1)[C@](CCCc1ccccc1)(C(=O)c1nc2ccccc2o1)S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
CES1 P23141 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
PRSS8 Q16651 2/20 0.37
XDH P47989 2/20 0.37
PPARG P37231 3/20 0.36
ELANE P08246 2/20 0.36
HSF1 Q00613 5/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 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
SCHEMBL7045289 0.76 PRSS8 (0.45) FAAHCES1DAGLAPRSS8XDH
SCHEMBL7046959 0.75 DAGLA (0.45) FAAHCES1DAGLAPRSS8XDH
SCHEMBL7042881 0.74 FAAH (0.43) FAAHCES1
SCHEMBL7415173 0.73 PRSS8 (0.41) FAAHCES1DAGLAPRSS8XDH
SCHEMBL7045497 0.72 DAGLA (0.46) FAAHCES1DAGLAPRSS8XDH
SCHEMBL7046274 0.72 XDH (0.41) FAAHCES1DAGLAPRSS8XDH
SCHEMBL7044878 0.71 ELANE (0.41) FAAHCES1DAGLAPRSS8XDH
SCHEMBL7043318 0.71 PPARG (0.34) FAAHCES1DAGLAXDHPPARG
SCHEMBL7042166 0.71 DAGLA (0.44) FAAHCES1DAGLAPRSS8XDH
SCHEMBL6062562 0.71 DAGLA (0.44) FAAHCES1DAGLAPRSS8XDH

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 FAAH 479/4885CES1 272/4885DAGLA 2304/4885

“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.