SCHEMBL7045889

SCHEMBL7045889

CCCN(C(=O)c1nc2ccccc2o1)C(=O)C(CS(=O)(=O)Cc1c(C)noc1C)NC(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
XDH P47989 1/20 0.34
HSF1 Q00613 5/20 0.34
AR P10275 1/20 0.33
FAAH O00519 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CES1 P23141 1/20 0.33
CTSS P25774 5/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL6462866 0.83 FAAH (0.38) XDHHSF1FAAHCES1CTSS
SCHEMBL7047097 0.82 AR (0.35) ARFAAHKDM4EMAPTCES1
SCHEMBL7043202 0.80 P2RY14 (0.37) RAB9AXDHHSF1FAAHKDM4E
SCHEMBL6465108 0.78 XDH (0.39) NPC1RAB9ASMN1; SMN2XDHHSF1
SCHEMBL7046391 0.78 FAAH (0.37) RAB9AXDHFAAHKDM4ECES1
SCHEMBL6468438 0.77 FAAH (0.40) XDHHSF1FAAHCES1CTSS
SCHEMBL7045892 0.75 CTSS (0.41) CTSSCYP3A4CYP2C9
SCHEMBL7046208 0.74 CTSS (0.38) FAAHCES1CTSSCYP3A4CYP2C9
SCHEMBL7046210 0.74 CTSS (0.38) FAAHCES1CTSSCYP3A4CYP2C9
SCHEMBL7116648 0.74 CTSS (0.43) CTSSCYP3A4CYP2C9

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 NPC1 428/4885TP53 375/4885RAB9A 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.