SCHEMBL7045494

SCHEMBL7045494

O=C(NCC(C(=O)NC1(C(=O)c2nc3ccccc3o2)CCC1)S(=O)(=O)Cc1ccccc1C(F)(F)F)C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.39
CYP2C9 P11712 8/20 0.39
RBP4 P02753 1/20 0.36
CTSS P25774 2/20 0.34
CTSL P07711 1/20 0.34
CTSK P43235 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
PTPN1 P18031 1/20 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
SCHEMBL6466324 0.85 CTSS (0.38) EPHX2CYP2C9RBP4CTSSCTSL
SCHEMBL6464521 0.81 CTSS (0.38) EPHX2CYP2C9RBP4CTSSCTSL
SCHEMBL6062899 0.76 FAAH (0.37) CYP2C9CTSSALDH1A1
SCHEMBL6061805 0.75 RAB9A (0.32) CTSS
SCHEMBL6062346 0.75 CTSS (0.34) CTSSALDH1A1CTDSP1
SCHEMBL6063234 0.75 KDM4E (0.37) CTSSALDH1A1
SCHEMBL7043390 0.74 SCN9A (0.31) EPHX2
SCHEMBL7042185 0.73 ATM (0.39) EPHX2CYP2C9ALDH1A1PTPN1
SCHEMBL6062448 0.69 FAAH (0.38) EPHX2CYP2C9RBP4CTSSALDH1A1
SCHEMBL6464516 0.69 CTSS (0.50) CYP2C9CTSSCTSLCTSK

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 EPHX2 696/4885CYP2C9 1807/4885RBP4 3433/4885

“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.