SCHEMBL18310592

SCHEMBL18310592

CC(=O)O[C@H]1C(COCc2ccccc2)O[C@H](O[C@H]2C(COCc3ccccc3)O[C@@H](O[C@H]3C(C)C(OCc4ccccc4)[C@H](OCCCN=[N+]=[N-])O[C@H]3COCc3ccccc3)C(OCc3ccccc3)[C@H]2C)C(OCc2ccccc2)[C@H]1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 2/20 0.43
▸ NT5E P21589 1/20 0.41
▸ PTPN1 P18031 8/20 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
▸ SELP P16109 1/20 0.39
▸ GJB2 P29033 1/20 0.39
▸ CDC25B P30305 6/20 0.39
▸ PTPN2 P17706 3/20 0.38
▸ PTPN11 Q06124 3/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ PTPN6 P29350 2/20 0.38
▸ FGF1 P05230 1/20 0.37
▸ FGF2 P09038 1/20 0.37
▸ VEGFA P15692 1/20 0.37
▸ HPSE Q9Y251 1/20 0.37

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
SCHEMBL13557609 0.95 NT5E (0.42) LGALS3NT5EPTPN1SSTR1SSTR2
SCHEMBL13557611 0.89 LGALS3 (0.47) LGALS3PTPN1SSTR1SSTR2SSTR4
SCHEMBL25964309 0.89 LGALS3 (0.46) LGALS3NT5EPTPN1SSTR1SSTR2
SCHEMBL25964138 0.88 LGALS3 (0.44) LGALS3NT5EPTPN1SSTR1SSTR2
SCHEMBL22842843 0.88 LGALS3 (0.46) LGALS3NT5EPTPN1SSTR1SSTR2
SCHEMBL25964186 0.88 LGALS3 (0.46) LGALS3NT5EPTPN1SSTR1SSTR2
SCHEMBL13557582 0.87 SSTR1 (0.41) LGALS3PTPN1SSTR1SSTR2SSTR4
SCHEMBL15883049 0.86 GJB2 (0.39) LGALS3NT5EPTPN1SSTR1SSTR2
SCHEMBL25964200 0.86 LGALS3 (0.41) LGALS3NT5EPTPN1SSTR1SSTR2
SCHEMBL10260460 0.86 NT5E (0.44) NT5EPTPN1SSTR1SSTR2SSTR4

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-20160361423-A1 CARBOHYDRATE-LIPID CONSTRUCTS AND THEIR USE IN PREVENTING OR TREATING VIRAL INFECTION KODE BIOTECH LTD (NZ) 2016-12-15 — — 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-20160361423-A1 CARBOHYDRATE-LIPID CONSTRUCTS AND THEIR USE IN PREVENTING OR TREATING VIRAL INFECTION HAVCR2, SIGLEC7, FUT5 LGALS3 8/4885NT5E 1700/4885PTPN1 967/4885

“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.

Send feedback