SCHEMBL5961468

SCHEMBL5961468

COC(=O)OC(C)(C)C[C@@H]1CNC(=O)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.33
PDCD1LG2 Q9BQ51 2/20 0.33
PDCD1 Q15116 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
ACACB O00763 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
PDE4A P27815 4/20 0.30
SYK P43405 3/20 0.30
PDE4B Q07343 2/20 0.30
PDE4C Q08493 2/20 0.30
PDE4D Q08499 2/20 0.30
TSHR P16473 2/20 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
SCHEMBL19486191 0.76 SYK (0.34) PDE4ASYKPDE4BPDE4CPDE4D
SCHEMBL28830304 0.74 FEN1 (0.32) SYK
SCHEMBL28908986 0.74 FEN1 (0.32) SYK
SCHEMBL523230 0.72 BRD4 (0.50) CD274PDCD1LG2PDCD1PDE4ASYK
SCHEMBL1673183 0.72 SYK (0.32) SYK
SCHEMBL12069210 0.70 IRAK4 (0.34) CD274PDCD1LG2IRAK4SYK
SCHEMBL3743966 0.70 ACACB (0.41) ACACBMTNR1AMTNR1B
SCHEMBL18305999 0.69 MTNR1A (0.57) CD274PDCD1LG2PDCD1MTNR1AMTNR1B
SCHEMBL23557638 0.68 CD274 (0.37) CD274PDCD1LG2PDCD1MTNR1AMTNR1B
SCHEMBL19045190 0.68 PDE4A (0.33) PDE4ASYKPDE4BPDE4CPDE4D

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-8466297-B2 Manufacturing process for (S)-Pregabalin SOUKUP MILAN (US) 2013-06-18 US disclosed
US-8466297-B2 Manufacturing process for (S)-Pregabalin SOUKUP MILAN (US) 2013-06-18 US disclosed
US-20120123134-A1 Manufacturing process for (S)-Pregabalin Drug Process Licensing Associates LLC (US) 2012-05-17 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-20120123134-A1 Manufacturing process for (S)-Pregabalin GABRE, GABRP, GABBR1 CD274 2671/4885PDCD1LG2 2542/4885PDCD1 2338/4885

“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.