SCHEMBL22778376

SCHEMBL22778376

COC(=O)C1O[C@@H](OC(=N)C(Cl)(Cl)Cl)C(OCc2ccccc2)C(OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.39
BACE1 P56817 1/20 0.39
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
PTPN1 P18031 6/20 0.36
PTPN2 P17706 3/20 0.36
BCHE P06276 1/20 0.36
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35
CDC25B P30305 4/20 0.35
LGALS8 O00214 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CDC25A P30304 1/20 0.34
CPB1 P15086 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
SCHEMBL19018767 1.00 NT5E (0.39) NT5EBACE1PDPK1MTORPTPN1
SCHEMBL19026639 0.92 LGALS8 (0.38) NT5EBACE1PDPK1MTORPTPN1
SCHEMBL19018840 0.92 LGALS8 (0.38) NT5EBACE1PDPK1MTORPTPN1
SCHEMBL19018766 0.92 LGALS8 (0.38) NT5EBACE1PDPK1MTORPTPN1
SCHEMBL12355204 0.85 NT5E (0.38) NT5EBACE1PTPN1PTPN2
SCHEMBL30128330 0.83 BCHE (0.48) BACE1PDPK1MTORPTPN1PTPN2
SCHEMBL10031484 0.82 PDPK1 (0.38) NT5EPDPK1MTORPTPN1PTPN2
SCHEMBL20854863 0.82 PDPK1 (0.38) NT5EPDPK1MTORPTPN1PTPN2
SCHEMBL8597607 0.82 PDPK1 (0.38) NT5EPDPK1MTORPTPN1PTPN2
SCHEMBL22181021 0.82 PDPK1 (0.38) NT5EPDPK1MTORPTPN1PTPN2

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-10864261-B2 Synthetic vaccines against Streptococcus pneumoniae serotype 2 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-12-15 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-10864261-B2 Synthetic vaccines against Streptococcus pneumoniae serotype 2 FUT5, SIGLEC7, ST6GAL1 NT5E 2301/4885BACE1 3691/4885PDPK1 4373/4885

“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.