SCHEMBL13192007

SCHEMBL13192007

O=C(OC1[C@@H](CO)O[C@@H](CI)C1(F)F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 6/20 0.44
▸ LGALS9 O00182 5/20 0.44
▸ LGALS1 P09382 5/20 0.44
▸ LGALS7; LGALS7B P47929 4/20 0.44
▸ RNASE1 P07998 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ LGALS8 O00214 2/20 0.34
▸ F2 P00734 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NT5E P21589 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ LGALS4 P56470 1/20 0.32

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
SCHEMBL10049036 0.87 LGALS9 (0.35) LGALS3LGALS9LGALS1LGALS7; LGALS7BALDH1A1
SCHEMBL4155253 0.83 LGALS9 (0.47) LGALS3LGALS9LGALS1LGALS7; LGALS7BRNASE1
SCHEMBL10048538 0.82 LGALS9 (0.46) LGALS3LGALS9LGALS1LGALS7; LGALS7BRNASE1
SCHEMBL13612938 0.74 LGALS3 (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BRNASE1
SCHEMBL4331137 0.74 LGALS3 (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BRNASE1
SCHEMBL4331132 0.74 LGALS3 (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BRNASE1
SCHEMBL4331140 0.74 LGALS3 (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BRNASE1
SCHEMBL13170885 0.73 LGALS9 (0.38) LGALS3LGALS9LGALS1LGALS7; LGALS7BALDH1A1
SCHEMBL8391225 0.73 ALDH1A1 (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BALDH1A1
SCHEMBL12355575 0.73 LGALS9 (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BRNASE1

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-20120259106-A1 ASYNTHESIS OF B-NUCLEOSIDES PHARMAESSENTIA CORP. (TW) 2012-10-11 — — 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-20120259106-A1 ASYNTHESIS OF B-NUCLEOSIDES ATIC, DPYD, DUT LGALS3 4779/4885LGALS9 4392/4885LGALS1 4680/4885

“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