SCHEMBL4331137

SCHEMBL4331137

COC1O[C@@H](CO)[C@@H](OC(=O)c2ccccc2)[C@@]1(C)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 4/20 0.44
LGALS9 O00182 3/20 0.44
LGALS1 P09382 3/20 0.44
LGALS7; LGALS7B P47929 2/20 0.44
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.39
RNASE1 P07998 1/20 0.37
LGALS4 P56470 1/20 0.37
TSHR P16473 2/20 0.36
LGALS8 O00214 2/20 0.36
ABCB1 P08183 3/20 0.35

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
SCHEMBL4331132 1.00 LGALS3 (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BALDH1A1
SCHEMBL13612938 1.00 LGALS3 (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BALDH1A1
SCHEMBL4331140 1.00 LGALS3 (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BALDH1A1
SCHEMBL13612935 0.90 ALDH1A1 (0.40) LGALS3LGALS9LGALS1LGALS7; LGALS7BALDH1A1
SCHEMBL12891150 0.89 ALDH1A1 (0.49) ALDH1A1GAA
SCHEMBL13151554 0.89 ALDH1A1 (0.49) ALDH1A1GAA
SCHEMBL4259462 0.89 ALDH1A1 (0.49) ALDH1A1GAA
SCHEMBL13486945 0.89 ALDH1A1 (0.49) ALDH1A1GAA
SCHEMBL13672337 0.89 ALDH1A1 (0.49) ALDH1A1GAA
SCHEMBL2816501 0.84 LGALS3 (0.43) LGALS3LGALS9LGALS1LGALS7; LGALS7BALDH1A1

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-8227431-B2 Nucleoside derivatives HETERO DRUGS LIMITED (IN) 2012-07-24 US disclosed
US-20090233879-A1 NOVEL NUCLEOSIDE DERIVATIVES HETERO DRUGS LIMITED (IN) 2009-09-17 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 (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-20090233879-A1 NOVEL NUCLEOSIDE DERIVATIVES ENTPD5, PNP, ENTPD1 LGALS3 1441/4885LGALS9 736/4885LGALS1 1210/4885

“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.