SCHEMBL20149722

SCHEMBL20149722

O=C(OC[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 6/20 0.65
LGALS9 O00182 5/20 0.65
LGALS1 P09382 5/20 0.65
LGALS7; LGALS7B P47929 4/20 0.65
LGALS8 O00214 4/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
KMT2A Q03164 1/20 0.50
PTPN1 P18031 2/20 0.45
ALDH1A1 P00352 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
LGALS4 P56470 1/20 0.43
SELP P16109 1/20 0.42
MAOB P27338 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL21059437 0.93 LGALS9 (0.55) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL15481915 0.91 USP2 (0.56) LGALS3LGALS9LGALS1LGALS7; LGALS7BPOLB
SCHEMBL15482001 0.91 USP2 (0.56) LGALS3LGALS9LGALS1LGALS7; LGALS7BPOLB
SCHEMBL14356282 0.89 LGALS9 (0.54) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL10359946 0.88 LGALS9 (0.53) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL10359947 0.88 LGALS9 (0.53) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL11175487 0.88 LGALS9 (0.54) LGALS3LGALS9LGALS1LGALS7; LGALS7BPOLB
SCHEMBL11175481 0.88 LGALS9 (0.54) LGALS3LGALS9LGALS1LGALS7; LGALS7BPOLB
SCHEMBL27988153 0.86 LGALS9 (0.53) LGALS3LGALS9LGALS1LGALS7; LGALS7BALDH1A1
SCHEMBL15481791 0.86 LGALS9 (0.51) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8

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-10441564-B2 Fructose analogs and their combinations as anti-cancer agents Jia, Wei (US) 2019-10-15 US disclosed
US-20180133192-A1 Fructose analogs and their combinations as anti-cancer agents JIA, WEI 2018-05-17 US disclosed
US-20180133192-A1 Fructose analogs and their combinations as anti-cancer agents JIA, WEI 2018-05-17 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-20180133192-A1 Fructose analogs and their combinations as anti-cancer agents ALDOA, FBP1, MPI LGALS3 31/4885LGALS9 118/4885LGALS1 34/4885
US-10441564-B2 Fructose analogs and their combinations as anti-cancer agents ALDOA, FBP1, MPI LGALS3 28/4885LGALS9 110/4885LGALS1 36/4885

“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.