SCHEMBL22842843

SCHEMBL22842843

CC(=O)O[C@H]1C(COCc2ccccc2)O[C@@H](OCCCN=[N+]=[N-])C(OCc2ccccc2)C1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 2/20 0.46
▸ NT5E P21589 1/20 0.43
▸ PTPN1 P18031 6/20 0.41
▸ CDC25B P30305 6/20 0.41
▸ GJB2 P29033 1/20 0.41
▸ TACR1 P25103 2/20 0.40
▸ TACR2 P21452 1/20 0.40
▸ SSTR1 P30872 1/20 0.40
▸ SSTR2 P30874 1/20 0.40
▸ SSTR4 P31391 1/20 0.40
▸ SSTR3 P32745 1/20 0.40
▸ SSTR5 P35346 1/20 0.40
▸ PTPN2 P17706 2/20 0.40
▸ PTPN6 P29350 2/20 0.40
▸ PTPN11 Q06124 2/20 0.40
▸ SELP P16109 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL25964186 1.00 LGALS3 (0.46) LGALS3NT5EPTPN1CDC25BGJB2
SCHEMBL25964309 0.95 LGALS3 (0.46) LGALS3NT5EPTPN1CDC25BGJB2
SCHEMBL18310592 0.88 LGALS3 (0.43) LGALS3NT5EPTPN1CDC25BGJB2
SCHEMBL25270558 0.87 LGALS3 (0.48) LGALS3NT5EPTPN1CDC25BGJB2
SCHEMBL20648775 0.87 LGALS3 (0.48) LGALS3NT5EPTPN1CDC25BGJB2
SCHEMBL22842842 0.86 SSTR2 (0.52) NT5EPTPN1CDC25BGJB2TACR1
SCHEMBL29233702 0.85 LGALS3 (0.48) LGALS3NT5EPTPN1CDC25BGJB2
SCHEMBL10260460 0.83 NT5E (0.44) NT5EPTPN1CDC25BGJB2TACR1
SCHEMBL25964203 0.83 LGALS3 (0.43) LGALS3NT5EPTPN1CDC25BGJB2
SCHEMBL13557609 0.83 NT5E (0.42) LGALS3NT5EPTPN1CDC25BGJB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230248839-A1 IMMUNOGENIC COMPOSITIONS GSK VACCINES S.R.L. (IT) 2023-08-10 — — US disclosed
US-20200405871-A1 IMMUNOGENIC COMPOSITIONS GSK VACCINES S.R.L. (IT) 2020-12-31 — — 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 (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-20200405871-A1 IMMUNOGENIC COMPOSITIONS FCGR3B, B3GAT3, CD47 LGALS3 15/4885NT5E 1406/4885PTPN1 1508/4885
US-20230248839-A1 IMMUNOGENIC COMPOSITIONS FCGR3B, B3GAT3, CD47 LGALS3 15/4885NT5E 1406/4885PTPN1 1508/4885

“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.

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