SCHEMBL6917878

SCHEMBL6917878

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.42
BRD4 O60885 1/20 0.37
HSD11B2 P80365 1/20 0.33
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
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL13964507 1.00 SPHK1 (0.42) SPHK1BRD4HSD11B2HCRTR2CHRM2
SCHEMBL15612852 1.00 SPHK1 (0.42) SPHK1BRD4HSD11B2HCRTR2CHRM2
SCHEMBL8252763 0.92 SPHK1 (0.44) SPHK1BRD4HSD11B2HCRTR2CHRM2
SCHEMBL25305199 0.88 SPHK1 (0.45) SPHK1BRD4HSD11B2HCRTR2CHRM2
SCHEMBL30484720 0.88 SPHK1 (0.45) SPHK1BRD4HSD11B2HCRTR2CHRM2
SCHEMBL13974156 0.87 SPHK1 (0.44) SPHK1BRD4HSD11B2HCRTR2CHRM2
SCHEMBL23771902 0.87 SPHK1 (0.44) SPHK1BRD4HSD11B2HCRTR2CHRM2
SCHEMBL209962 0.86 SPHK1 (0.45) SPHK1BRD4HCRTR2CHRM2CHRM1
SCHEMBL4625837 0.86 SPHK1 (0.45) SPHK1BRD4HCRTR2CHRM2CHRM1
SCHEMBL3086684 0.86 SPHK1 (0.45) SPHK1BRD4HCRTR2CHRM2CHRM1

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-20210253642-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BACKGROUND BLADE THERAPEUTICS INC (US) 2021-08-19 US disclosed
WO-2011092611-A1 AMINOCYCLOHEXANES AND AMINOTETRAHYDROPYRANS AND RELATED COMPOUNDS AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-08-04 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-20210253642-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BACKGROUND CAPNS1, CAPN9, CAPN1 SPHK1 3053/4885BRD4 1824/4885HSD11B2 4352/4885

“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.