SCHEMBL17518252

SCHEMBL17518252

COC(=O)/C=C/C[C@@H](C)[C@@H](O)CC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GFPT1 Q06210 1/20 0.33

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
SCHEMBL17524625 0.81 GABRR1 (0.38)
SCHEMBL14497823 0.79 HCAR2 (0.46) HCAR2KEAP1NFE2L2GFPT1
SCHEMBL13540707 0.78 GRIK1 (0.37)
SCHEMBL15909791 0.78 GRIK1 (0.37)
SCHEMBL14852861 0.78 GRIK1 (0.37)
SCHEMBL17920045 0.78 GRIK1 (0.37)
SCHEMBL1709871 0.78 GRIK1 (0.37)
SCHEMBL28020839 0.75 HCAR2 (0.50) HCAR2KEAP1NFE2L2GFPT1
SCHEMBL26759885 0.75 HCAR2 (0.41) HCAR2KEAP1NFE2L2GFPT1
SCHEMBL27976502 0.74 HCAR2 (0.44) HCAR2KEAP1NFE2L2GFPT1

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-9266927-B2 Cyclosporin A analogs ALLERGAN, INC. (US) 2016-02-23 US disclosed
US-20160039880-A1 CYCLOSPORIN A ANALOGS ALLERGAN, INC. 2016-02-11 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-20160039880-A1 CYCLOSPORIN A ANALOGS TSLP, CHP1, PPP3R1 HCAR2 1159/4885KEAP1 3746/4885NFE2L2 4033/4885

“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.