SCHEMBL8252763

SCHEMBL8252763

CC(C)(C)OC(=O)/C=C/C1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.44
BRD4 O60885 1/20 0.36
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCRTR2 O43614 1/20 0.31
EPHX2 P34913 1/20 0.31
HSD11B2 P80365 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
SCHEMBL15612852 0.92 SPHK1 (0.42) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL13964507 0.92 SPHK1 (0.42) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL6917878 0.92 SPHK1 (0.42) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL25305199 0.90 SPHK1 (0.45) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL30484720 0.90 SPHK1 (0.45) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL13974156 0.89 SPHK1 (0.44) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL23771902 0.89 SPHK1 (0.44) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL209963 0.89 SPHK1 (0.45) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL3086684 0.89 SPHK1 (0.45) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL3310633 0.89 SPHK1 (0.45) SPHK1BRD4CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051326-A1 Antiinfective Lipopeptides CUBIST PHARMACEUTICALS, INC. 2008-02-28 US disclosed
US-20080051326-A1 Antiinfective Lipopeptides CUBIST PHARMACEUTICALS, INC. 2008-02-28 US disclosed
WO-2006110185-A2 ANTIINFECTIVE LIPOPEPTIDES CUBIST PHARMACEUTICALS, INC. (US) 2006-10-19 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-20080051326-A1 Antiinfective Lipopeptides VIP, NGLY1, PREP SPHK1 887/4885BRD4 1901/4885CHRM2 4826/4885

“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.