SCHEMBL3467057

SCHEMBL3467057

CC(C)(CC(=O)O)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.45
HSD11B2 P80365 1/20 0.36
BRD4 O60885 1/20 0.35
HCRTR2 O43614 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1H2 P55055 1/20 0.30

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
SCHEMBL3467056 1.00 SPHK1 (0.45) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL3466629 0.87 SPHK1 (0.46) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL3466633 0.87 SPHK1 (0.46) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL1859101 0.87 SPHK1 (0.48) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL1859100 0.87 SPHK1 (0.48) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL3465657 0.85 SPHK1 (0.44) SPHK1HSD11B2BRD4HCRTR2
SCHEMBL3465655 0.85 SPHK1 (0.44) SPHK1HSD11B2BRD4HCRTR2
SCHEMBL3465518 0.85 KDM4E (0.33) SPHK1
SCHEMBL3614792 0.85 SPHK1 (0.45) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL3614794 0.85 SPHK1 (0.45) SPHK1HSD11B2BRD4HCRTR2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767690-B2 Amino alcohol derivatives and their use as renin inhibitor NOVARTIS AG (CH) 2010-08-03 US disclosed
US-20090118281-A1 Amino Alcohol Derivatives And Their Use As Renin Inhibitor NOVARTIS AG (CH) 2009-05-07 US disclosed
EP-1711456-A2 AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2006-10-18 EP disclosed
WO-2005070870-A2 AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-08-04 WO 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-20090118281-A1 Amino Alcohol Derivatives And Their Use As Renin Inhibitor REN, AGTR1, ADH1A SPHK1 3516/4885HSD11B2 825/4885BRD4 956/4885

“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.