SCHEMBL7611236

SCHEMBL7611236

CC(C)C[C@H](OC(=O)[C@](N)(CC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.35
REN P00797 3/20 0.35
POLB P06746 3/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.35
SRR Q9GZT4 1/20 0.35
MMP8 P22894 1/20 0.34
SLC7A5 Q01650 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
APP P05067 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 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
SCHEMBL7813698 0.78 SMN1; SMN2 (0.49) MAPK1MMP8SMN1; SMN2HIF1A
SCHEMBL418231 0.71 ALDH1A1 (0.46) TDP1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL12874139 0.69 ALDH1A1 (0.46) TDP1MAPK1MEN1KMT2A
SCHEMBL6447831 0.69 PPARA (0.39) RENATMTSHRSMN1; SMN2HIF1A
SCHEMBL7316106 0.69 SMN1; SMN2 (0.46) MAPK1MMP8SLC7A5SMN1; SMN2HIF1A
SCHEMBL7609304 0.68 ATM (0.56) MAPK1RENATMAPPPSEN1
SCHEMBL26931972 0.68 SMN1; SMN2 (0.50) SMN1; SMN2HIF1A
SCHEMBL7440502 0.68 SMN1; SMN2 (0.45) MAPK1ATMMMP8SLC7A5SMN1; SMN2
SCHEMBL11274358 0.67 GRN (0.52) MAPK1RENAPPPSEN1PSEN2
SCHEMBL7280321 0.67 HIF1A (0.43) MMP8SMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128185-A1 Pharmaceutical compounds HAWAII, UNIVERSITY OF 2002-09-12 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-20020128185-A1 Pharmaceutical compounds XPO5, XPOT, XPO1 MAPT 82/4885NPSR1 3139/4885TDP1 1266/4885

“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.