SCHEMBL24107751

SCHEMBL24107751

O=C(OC1C(OC2C(Sc3ccccc3)OC(COCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.55
PTPN1 P18031 11/20 0.46
PTPN2 P17706 5/20 0.46
PTPN11 Q06124 5/20 0.46
TACR2 P21452 2/20 0.44
CDC25B P30305 8/20 0.43
PTPN6 P29350 4/20 0.43
GJB2 P29033 2/20 0.42
SSTR1 P30872 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR4 P31391 1/20 0.39
SSTR3 P32745 1/20 0.39
SSTR5 P35346 1/20 0.39

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
SCHEMBL3248483 0.92 NT5E (0.56) NT5EPTPN1PTPN2PTPN11TACR2
SCHEMBL24107840 0.92 NT5E (0.56) NT5EPTPN1PTPN2PTPN11TACR2
SCHEMBL23603344 0.90 NT5E (0.53) NT5EPTPN1PTPN2PTPN11TACR2
SCHEMBL21077795 0.90 NT5E (0.53) NT5EPTPN1PTPN2PTPN11TACR2
SCHEMBL13402395 0.90 NT5E (0.53) NT5EPTPN1PTPN2PTPN11TACR2
SCHEMBL13402397 0.90 NT5E (0.56) NT5EPTPN1PTPN2PTPN11TACR2
SCHEMBL3248351 0.90 NT5E (0.47) NT5EPTPN1PTPN2PTPN11TACR2
SCHEMBL10261679 0.87 PTPN1 (0.47) NT5EPTPN1PTPN2PTPN11TACR2
SCHEMBL24672150 0.86 NT5E (0.52) NT5EPTPN1PTPN2PTPN11TACR2
SCHEMBL13857172 0.85 PTPN1 (0.46) NT5EPTPN1PTPN2PTPN11TACR2

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-20210386845-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-16 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-20210386845-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE UBXN1, MLX, UBXN4 NT5E 1356/4885PTPN1 2394/4885PTPN2 2429/4885

“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.