SCHEMBL12603813

SCHEMBL12603813

OC[C@H]1O[C@@H](NS)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.55
▸ CA1 P00915 3/20 0.55
▸ CA2 P00918 3/20 0.55
▸ CA9 Q16790 3/20 0.55
▸ PYGB P11216 7/20 0.53
▸ GAA P10253 1/20 0.53
▸ LGALS1 P09382 2/20 0.47
▸ LGALS3 P17931 2/20 0.47
▸ LGALS9 O00182 1/20 0.47
▸ LGALS8 O00214 1/20 0.47
▸ AKR1B1 P15121 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL22372512 0.82 LGALS8 (0.56) CA12CA1CA2CA9LGALS3
SCHEMBL2230624 0.82 CA12 (0.58) CA12CA1CA2CA9PYGB
SCHEMBL28378672 0.82 CA12 (0.58) CA12CA1CA2CA9PYGB
SCHEMBL12894485 0.82 CA12 (0.58) CA12CA1CA2CA9PYGB
SCHEMBL1224787 0.82 CA12 (0.58) CA12CA1CA2CA9PYGB
SCHEMBL14067604 0.78 CA1 (0.59) CA12CA1CA2CA9PYGB
SCHEMBL3228008 0.78 PYGB (0.58) CA12CA1CA2CA9PYGB
SCHEMBL1647661 0.78 PYGB (0.58) CA12CA1CA2CA9PYGB
SCHEMBL1647658 0.78 PYGB (0.58) CA12CA1CA2CA9PYGB
SCHEMBL14707760 0.78 PYGB (0.58) CA12CA1CA2CA9PYGB

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-20110150984-A1 METHODS OF INCREASING THE BIOAVAILABILITY AND/OR CELLULAR UPDATE OF DRUGS HET NEDERLANDS KANKER INSTITUUT (NL) 2011-06-23 — — US disclosed
US-7915227-B2 Pharmaceutical formulations employing short-chain sphingolipids and their use HET NEDERLANDS KANKER INSTITUUT (NL) 2011-03-29 — — US disclosed
US-20070082855-A1 Pharmaceutical formulations employing short-chain sphingolipids and their use HET NEDERLANDS KANKER INSTITUUT (NL) 2007-04-12 — — 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-20110150984-A1 METHODS OF INCREASING THE BIOAVAILABILITY AND/OR CELLULAR UPDATE OF DRUGS NPC1L1, SGMS2, SGMS1 CA12 1872/4885CA1 3018/4885CA2 2144/4885
US-20070082855-A1 Pharmaceutical formulations employing short-chain sphingolipids and their use SGMS1, SGMS2, CERT1 CA12 1285/4885CA1 1967/4885CA2 2346/4885

“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.

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