SCHEMBL21077795

SCHEMBL21077795

O=C(O[C@H]1C(COCc2ccccc2)O[C@@H](Sc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.53
TACR2 P21452 3/20 0.46
LGALS9 O00182 1/20 0.43
LGALS1 P09382 1/20 0.43
LGALS3 P17931 1/20 0.43
LGALS7; LGALS7B P47929 1/20 0.43
PTPN1 P18031 10/20 0.41
PTPN2 P17706 5/20 0.41
PTPN11 Q06124 5/20 0.41
CDC25B P30305 8/20 0.41
PTPN6 P29350 4/20 0.41
SSTR4 P31391 1/20 0.39
HTR1A P08908 1/20 0.38

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
SCHEMBL23603344 1.00 NT5E (0.53) NT5ETACR2LGALS9LGALS1LGALS3
SCHEMBL13402395 0.98 NT5E (0.53) NT5ETACR2LGALS9LGALS1LGALS3
SCHEMBL3248483 0.96 NT5E (0.56) NT5ETACR2LGALS9LGALS1LGALS3
SCHEMBL24107840 0.96 NT5E (0.56) NT5ETACR2LGALS9LGALS1LGALS3
SCHEMBL13402397 0.94 NT5E (0.56) NT5ETACR2LGALS9LGALS1LGALS3
SCHEMBL27324965 0.92 KMT2A (0.45) NT5ETACR2LGALS9LGALS1LGALS3
SCHEMBL24107751 0.90 NT5E (0.55) NT5ETACR2PTPN1PTPN2PTPN11
SCHEMBL24672150 0.89 NT5E (0.52) NT5ETACR2LGALS9LGALS1LGALS3
SCHEMBL24107980 0.88 SSTR4 (0.51) NT5ETACR2LGALS9LGALS1LGALS3
SCHEMBL13857157 0.88 NT5E (0.46) NT5ETACR2LGALS9LGALS1LGALS3

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-11479574-B2 Vaccine against Klebsiella pneumoniae IDORSIA PHARMACEUTICALS LTD (CH) 2022-10-25 US disclosed
US-20210198304-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-01 US disclosed
EP-3492482-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE Vaxxilon AG (CH) 2019-06-05 EP 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-11479574-B2 Vaccine against Klebsiella pneumoniae SLC11A2, OSTC, STT3A NT5E 3184/4885TACR2 3271/4885LGALS9 526/4885
US-20210198304-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE SLC11A2, OSTC, STT3A NT5E 3184/4885TACR2 3271/4885LGALS9 526/4885

“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.