SCHEMBL16476751

SCHEMBL16476751

CO[C@@H]1OC(CO)[C@@H](OC)[C@H](O)C1NC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 7/20 0.54
LGALS7; LGALS7B P47929 2/20 0.54
LGALS1 P09382 1/20 0.54
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.53
LGALS9 O00182 2/20 0.53
MAPK1 P28482 2/20 0.51
LGALS8 O00214 3/20 0.51
LGALS4 P56470 1/20 0.51
CD69 Q07108 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL7153589 1.00 LGALS3 (0.54) LGALS3LGALS7; LGALS7BLGALS1ALDH1A1THRB
SCHEMBL29305312 1.00 LGALS3 (0.54) LGALS3LGALS7; LGALS7BLGALS1ALDH1A1THRB
SCHEMBL16476748 1.00 LGALS3 (0.54) LGALS3LGALS7; LGALS7BLGALS1ALDH1A1THRB
SCHEMBL7153592 1.00 LGALS3 (0.54) LGALS3LGALS7; LGALS7BLGALS1ALDH1A1THRB
SCHEMBL17953133 0.95 LGALS3 (0.58) LGALS3LGALS7; LGALS7BLGALS1ALDH1A1THRB
SCHEMBL13136604 0.95 LGALS3 (0.58) LGALS3LGALS7; LGALS7BLGALS1ALDH1A1THRB
SCHEMBL15386146 0.95 LGALS3 (0.58) LGALS3LGALS7; LGALS7BLGALS1ALDH1A1THRB
SCHEMBL16675413 0.95 LGALS3 (0.58) LGALS3LGALS7; LGALS7BLGALS1ALDH1A1THRB
SCHEMBL10023255 0.95 LGALS3 (0.58) LGALS3LGALS7; LGALS7BLGALS1ALDH1A1THRB
SCHEMBL13799095 0.95 LGALS3 (0.58) LGALS3LGALS7; LGALS7BLGALS1ALDH1A1THRB

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-20140107015-A1 PHARAMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING HUMAN IMMUNODEFICIENCY VIRUS PUKYONG NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2014-04-17 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-20140107015-A1 PHARAMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING HUMAN IMMUNODEFICIENCY VIRUS PEPD, CD4, DNPEP LGALS3 396/4885LGALS7; LGALS7B 670/4885LGALS1 308/4885

“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.