SCHEMBL23346342

SCHEMBL23346342

CC(C)C(=O)C(CN)NC(=O)CC(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.38
MME P08473 2/20 0.38
NAALAD2 Q9Y3Q0 3/20 0.38
FOLH1 Q04609 2/20 0.38
ACE P12821 1/20 0.32
ECE1 P42892 1/20 0.32
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CACNA2D1 P54289 2/20 0.31
ENPEP Q07075 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL25011832 0.87 NAALAD2 (0.40) GABRR1MMENAALAD2FOLH1ACE
SCHEMBL25811807 0.84 GABRR1 (0.39) GABRR1MMENAALAD2FOLH1ACE
SCHEMBL24753917 0.84 GABRR1 (0.39) GABRR1MMENAALAD2FOLH1ACE
SCHEMBL24141307 0.84 GABRR1 (0.39) GABRR1MMENAALAD2FOLH1ACE
SCHEMBL19302558 0.84 GABRR1 (0.39) GABRR1MMENAALAD2FOLH1ACE
SCHEMBL26852933 0.82 MME (0.36) MMEACEECE1
SCHEMBL26852942 0.82 MME (0.36) MMEACEECE1
SCHEMBL25633002 0.81 MME (0.63) MMEACECACNA2D1CACNB3CACNA1C
SCHEMBL23346343 0.76 CACNA2D1 (0.38) GABRR1MMEACEECE1CACNA2D1
SCHEMBL24141313 0.76 CACNA2D1 (0.38) GABRR1MMEACEECE1CACNA2D1

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-20210402002-A1 CONJUGATE GLYKOS BIOMEDICAL OY (FI) 2021-12-30 US disclosed
US-20210138080-A1 CONJUGATES GLYKOS BIOMEDICAL OY (FI) 2021-05-13 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 (2 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-20210402002-A1 CONJUGATE ST6GAL1, CSGALNACT1, FUT6 GABRR1 2050/4885MME 560/4885NAALAD2 130/4885
US-20210138080-A1 CONJUGATES LGALS1, LGALS3BP, LGALS2 GABRR1 3335/4885MME 447/4885NAALAD2 81/4885

“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.