SCHEMBL7044367

SCHEMBL7044367

CC(C)(C)OC(=O)NCC(SCc1ccccc1)C(=O)NC1(C(=O)c2nc3ccccc3o2)CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
IDO1 P14902 1/20 0.35
XDH P47989 2/20 0.35
FAAH O00519 1/20 0.35
CES1 P23141 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
RAB9A P51151 2/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SYK P43405 1/20 0.35
ACACB O00763 3/20 0.34
ACACA Q13085 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 6/20 0.34
SCN9A Q15858 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
SCHEMBL6462788 0.89 FAAH (0.39) XDHFAAHCES1DAGLARAB9A
SCHEMBL7042185 0.85 ATM (0.39) NPSR1XDHFAAHCES1DAGLA
SCHEMBL7044363 0.83 PPARG (0.49) NPSR1TSHRMEN1KMT2ACYP3A4
SCHEMBL7042180 0.78 MAPT (0.40) NPSR1RAB9ATSHRMAPTSMN1; SMN2
SCHEMBL7043390 0.75 SCN9A (0.31) ACACBACACACYP3A4SCN9AEPHX2
SCHEMBL7044364 0.75 XDH (0.35) IDO1XDHFAAHCES1DAGLA
SCHEMBL6467288 0.75 NPSR1 (0.38) NPSR1IDO1FAAHCES1DAGLA
SCHEMBL6062899 0.72 FAAH (0.37) XDHFAAHCES1DAGLARAB9A
SCHEMBL5522238 0.70 CTSS (0.60) IDO1
SCHEMBL7042183 0.70 ALDH1A1 (0.37) NPSR1XDHFAAHCES1DAGLA

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 NPSR1 1839/4885IDO1 1339/4885XDH 705/4885

“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.