SCHEMBL7043199

SCHEMBL7043199

CC(C)(C)OC(=O)NCC(C(=O)NCCC(C(=O)c1nc2ccccc2o1)c1ccccc1)S(=O)(=O)Cc1cnccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.35
CYP3A4 P08684 9/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
S1PR1 P21453 1/20 0.33
CTSS P25774 4/20 0.33
CTSL P07711 1/20 0.33
CTSK P43235 1/20 0.33
PTPN1 P18031 1/20 0.32

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
SCHEMBL6465945 0.91 CTSS (0.33) CYP3A4CTSSCTSLCTSKPTPN1
SCHEMBL7049753 0.79 BCHE (0.41) S1PR1CTSSCTSK
SCHEMBL6464521 0.77 CTSS (0.38) CYP3A4CTSSCTSLCTSKPTPN1
SCHEMBL7049143 0.77 HTT (0.34) CYP3A4CTSS
SCHEMBL6464414 0.75 FAAH (0.38) CYP3A4CTSS
SCHEMBL6465509 0.74 LMNA (0.46) CYP3A4CTSSCTSL
SCHEMBL7049338 0.74 CTSS (0.38) CTSSCTSLCTSK
SCHEMBL6062750 0.73 EPHX2 (0.38) CYP3A4CTSS
SCHEMBL6468432 0.73 GART (0.34) CYP3A4CTSS
SCHEMBL7044860 0.73 LMNA (0.44) CYP3A4CTSSCTSL

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 SCN9A 2740/4885CYP3A4 1183/4885SCN10A 3158/4885

“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.