SCHEMBL21134971

SCHEMBL21134971

CC(=O)OC[C@@H]1O[C@H](Sc2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.61
CA1 P00915 9/20 0.61
CA2 P00918 9/20 0.61
CA4 P22748 5/20 0.61
CA5A P35218 5/20 0.61
CA7 P43166 5/20 0.61
CA5B Q9Y2D0 5/20 0.61
TSHR P16473 1/20 0.54
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PARP1 P09874 1/20 0.49
P4HB P07237 1/20 0.47
LGALS9 O00182 1/20 0.46
LGALS1 P09382 1/20 0.46
LGALS3 P17931 1/20 0.46
LGALS7; LGALS7B P47929 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
SCHEMBL18942030 1.00 CA12 (0.61) CA12CA1CA2CA4CA5A
SCHEMBL21134954 1.00 CA12 (0.61) CA12CA1CA2CA4CA5A
SCHEMBL22892186 1.00 CA12 (0.61) CA12CA1CA2CA4CA5A
SCHEMBL18942039 1.00 CA12 (0.61) CA12CA1CA2CA4CA5A
SCHEMBL3665513 0.92 CA1 (0.50) CA12CA1CA2CA4CA5A
SCHEMBL23642758 0.91 CA12 (0.72) CA12CA1CA2CA4CA5A
SCHEMBL20169037 0.91 CA12 (0.72) CA12CA1CA2CA4CA5A
SCHEMBL22927973 0.91 CA12 (0.72) CA12CA1CA2CA4CA5A
SCHEMBL18942413 0.91 USP2 (0.51) CA12CA1CA2CA4CA5A
SCHEMBL1029421 0.91 CA12 (0.72) CA12CA1CA2CA4CA5A

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-20210009620-A1 PURE HEPTASULFATED DISACCHARIDES HAVING IMPROVED ORAL BIOAVAILABILITY OPKO PHARMACEUTICALS, LLC. 2021-01-14 US disclosed
US-10829509-B2 Pure heptasulfated disaccharides having improved oral bioavailability OPKO PHARMACEUTICALS, LLC (US) 2020-11-10 US disclosed
US-20190185503-A1 PURE HEPTASULFATED DISACCHARIDES HAVING IMPROVED ORAL BIOAVAILABILITY OPKO PHARMACEUTICALS, LLC. 2019-06-20 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 (3 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-20210009620-A1 PURE HEPTASULFATED DISACCHARIDES HAVING IMPROVED ORAL BIOAVAILABILITY SI, GYS1, UGGT1 CA12 555/4885CA1 2138/4885CA2 2488/4885
US-10829509-B2 Pure heptasulfated disaccharides having improved oral bioavailability SI, GYS1, UGGT1 CA12 555/4885CA1 2138/4885CA2 2488/4885
US-20190185503-A1 PURE HEPTASULFATED DISACCHARIDES HAVING IMPROVED ORAL BIOAVAILABILITY SI, GYS1, UGGT1 CA12 555/4885CA1 2138/4885CA2 2488/4885

“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.