SCHEMBL6462687

SCHEMBL6462687

Cc1ccccc1C(C(=O)NCCC(C(=O)c1nc2ccccc2o1)c1ccccc1)S(=O)(=O)CCNC(=O)N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIPC P11150 5/20 0.37
LIPG Q9Y5X9 3/20 0.37
CTSS P25774 11/20 0.36
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL6466976 0.85 FAAH (0.40) LIPCLIPGKDM4E
SCHEMBL7046717 0.83 KDM4E (0.36) LIPCLIPGCTSSKDM4E
SCHEMBL7045927 0.81 CTSS (0.38) LIPCLIPGCTSSKDM4ECYP3A4
SCHEMBL6467381 0.77 CTSS (0.36) CTSSKDM4ECYP3A4CYP2C9EPHX2
SCHEMBL7044831 0.77 CTSS (0.36) CTSSKDM4ECYP3A4CYP2C9
SCHEMBL6468767 0.77 CTSS (0.36) CTSSKDM4ECYP3A4CYP2C9
SCHEMBL6063094 0.76 CTSS (0.47) CTSSKDM4ECYP3A4EPHX2
SCHEMBL6467525 0.75 CTSS (0.35) CTSSKDM4ECYP3A4CYP2C9
SCHEMBL7048621 0.73 CTSS (0.35) CTSSCYP3A4CYP2C9EPHX2
SCHEMBL7187232 0.73 CTSS (0.38) LIPCLIPGCTSSKDM4ECYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP claimed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US claimed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US claimed
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
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 LIPC 644/4885LIPG 372/4885CTSS 9/4885

“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.