SCHEMBL7046398

SCHEMBL7046398

COC(=O)NCC(C(=O)NCCC(C(=O)c1nc2ccccc2o1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.38
CTSS P25774 9/20 0.37
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLO1 Q04760 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
FAAH O00519 1/20 0.36
CES1 P23141 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL6464428 0.92 CTSS (0.39) XDHCTSSRAB9ACYP3A4CYP2C9
SCHEMBL7187232 0.85 CTSS (0.38) CTSSKDM4ECYP3A4CYP2C9
SCHEMBL6462869 0.83 DAGLA (0.52) XDHFAAHCES1DAGLA
SCHEMBL7049143 0.80 HTT (0.34) CTSSRAB9AKDM4EGLO1CYP3A4
SCHEMBL6464414 0.80 FAAH (0.38) XDHCTSSCYP3A4CYP2C9FAAH
SCHEMBL7044356 0.79 CTSS (0.37) XDHCTSSCYP3A4CYP2C9FAAH
SCHEMBL7114802 0.77 LMNA (0.38) CTSSKDM4E
SCHEMBL6466991 0.77 CTSS (0.35) CTSSCYP3A4CYP2C9
SCHEMBL7049525 0.77 GART (0.38) XDHCTSSKDM4ECYP3A4CYP2C9
SCHEMBL7045925 0.75 CTSS (0.36) CTSSKDM4ECYP3A4CYP2C9NPC1

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 XDH 705/4885CTSS 9/4885RAB9A 1895/4885

“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.