SCHEMBL21914151

SCHEMBL21914151

C[C@@H](O)C(O[Si](C)(C)C(C)(C)C)[C@H](CO)NC(=O)c1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRND Q07001 1/20 0.40
KCNQ3 O43525 3/20 0.37
KCNQ2 O43526 3/20 0.37
CTSK P43235 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
GABRA5 P31644 1/20 0.35

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
SCHEMBL19827420 0.93 CHRNA1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL15281675 0.83 TAS1R3 (0.37) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL5661253 0.72 CHRNA1 (0.54) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL21914997 0.72 PSMB8 (0.46)
SCHEMBL13146304 0.71 MLYCD (0.54) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL31079673 0.71 MLYCD (0.54) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL30968940 0.68 CES2 (0.43) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4851736 0.68 CHRNA1 (0.44) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL21914995 0.67 MEN1 (0.53) MAPK1
SCHEMBL12177589 0.66 ALDH1A1 (0.56) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10588962-B2 Carbohydrate-glycolipid conjugate vaccines MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-03-17 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-10588962-B2 Carbohydrate-glycolipid conjugate vaccines STT3B, STT3A, DDOST CHRNA1 3743/4885CHRNG 1384/4885CHRNB1 3740/4885

“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.