SCHEMBL1764469

SCHEMBL1764469

C[C@@H]1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(S)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
PDE4D Q08499 1/20 0.38
PSEN1 P49768 4/20 0.37
PSEN2 P49810 4/20 0.37
APH1B Q8WW43 4/20 0.37
NCSTN Q92542 4/20 0.37
APH1A Q96BI3 4/20 0.37
PSENEN Q9NZ42 4/20 0.37
PDPK1 O15530 1/20 0.37
MTOR P42345 1/20 0.37
MAPT P10636 2/20 0.37
CYP2C19 P33261 2/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36
CTSF Q9UBX1 1/20 0.36

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
SCHEMBL1764472 1.00 BCHE (0.41) BCHEACHEPDE4DPSEN1PSEN2
SCHEMBL8330102 0.83 PDE4D (0.43) BCHEACHEPDE4DPSEN1PSEN2
SCHEMBL20107274 0.83 PDE4D (0.43) BCHEACHEPDE4DPSEN1PSEN2
SCHEMBL20107390 0.83 PDE4D (0.43) BCHEACHEPDE4DPSEN1PSEN2
SCHEMBL8331943 0.83 SSTR1 (0.46) BCHEACHEPDE4DPSEN1PSEN2
SCHEMBL20725200 0.81 PDE4D (0.50) BCHEACHEPDE4DPSEN1PSEN2
SCHEMBL24725537 0.80 BCHE (0.50) BCHEACHEPDE4D
SCHEMBL21183340 0.80 BCHE (0.50) BCHEACHEPDE4D
SCHEMBL14050753 0.80 BCHE (0.50) BCHEACHEPDE4D
SCHEMBL18542288 0.80 BCHE (0.50) BCHEACHEPDE4D

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-20110124850-A1 Glycorandomization and Production of Novel Vancomycin Analogs THORSON JON 2011-05-26 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-20110124850-A1 Glycorandomization and Production of Novel Vancomycin Analogs NMT1, NMT2, B3GNT2 BCHE 3190/4885ACHE 4748/4885PDE4D 2257/4885

“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.