SCHEMBL7043196

SCHEMBL7043196

CC(C)(C)OC(=O)N(CCS(=O)(=O)Cc1cnccc1C(F)(F)F)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS8 Q16651 2/20 0.36
CTSS P25774 13/20 0.35
CTSL P07711 3/20 0.35
CTSK P43235 3/20 0.35
PTPN1 P18031 1/20 0.35
CTSB P07858 2/20 0.35
CYP3A4 P08684 2/20 0.35
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
DAGLA Q9Y4D2 1/20 0.33
CYP2C9 P11712 1/20 0.33
PPARG P37231 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
SCHEMBL6062110 0.92 CTSS (0.37) PRSS8CTSSCTSLCTSKPTPN1
SCHEMBL7049751 0.80 FAAH (0.46) PRSS8CTSSCTSLCTSKCTSB
SCHEMBL6464410 0.78 FAAH (0.42) PRSS8CTSSCTSLCTSKCTSB
SCHEMBL7049337 0.76 PRSS8 (0.45) PRSS8CTSSCTSLCTSKCTSB
SCHEMBL6462867 0.75 CTSS (0.41) CTSSCYP3A4CYP2C9
SCHEMBL6466984 0.75 PRSS8 (0.41) PRSS8CTSSCTSLCTSKCTSB
SCHEMBL7046394 0.75 CTSS (0.40) PRSS8CTSSCYP3A4CYP2C9
SCHEMBL6467209 0.74 PRSS8 (0.39) PRSS8CTSSCTSLCTSKCTSB
SCHEMBL7043205 0.73 CTSS (0.39) CTSSCTSKCYP3A4CYP2C9
SCHEMBL7049540 0.73 ALDH1A1 (0.37) PTPN1PPARG

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 PRSS8 33/4885CTSS 9/4885CTSL 18/4885

“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.