Saccharin

Saccharin

SCHEMBL2731361

O=C1NS(=O)(=O)c2ccccc21.O=C1NS(=O)(=O)c2ccccc21.O=S(=O)(O)O.O=S(=O)(O)O.[NaH]

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Saccharin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK3 known ✓ Q16288 1/20 0.46
CA12 O43570 6/20 0.79
CA9 Q16790 6/20 0.79
CA2 P00918 5/20 0.79
CA1 P00915 3/20 0.79
CA7 P43166 2/20 0.79
KDM4E B2RXH2 1/20 0.79
USP2 O75604 1/20 0.79
LMNA P02545 1/20 0.79
BCHE P06276 1/20 0.79
CA4 P22748 1/20 0.79
CA6 P23280 1/20 0.79
CA5A P35218 1/20 0.79
KMT2A Q03164 1/20 0.79
CA14 Q9ULX7 1/20 0.79
CA5B Q9Y2D0 1/20 0.79
HSD11B1 P28845 1/20 0.51
ALDH1A1 P00352 2/20 0.51
GLO1 Q04760 1/20 0.49
ALPI P09923 8/20 0.47

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
Saccharin SCHEMBL27585928 1.00 CA12 (0.79) CA12CA9CA2CA1CA7
Saccharin SCHEMBL3661332 0.98 CA12 (0.81) CA12CA9CA2CA1CA7
Saccharin SCHEMBL299663 0.98 CA12 (0.81) CA12CA9CA2CA1CA7
Saccharin SCHEMBL10380910 0.98 CA12 (0.81) CA12CA9CA2CA1CA7
Saccharin SCHEMBL27598742 0.96 CA12 (0.79) CA12CA9CA2CA1CA7
Saccharin SCHEMBL28969625 0.96 CA12 (0.79) CA12CA9CA2CA1CA7
Saccharin SCHEMBL10400264 0.95 CA12 (0.76) CA12CA9CA2CA1CA7
Saccharin SCHEMBL10338383 0.92 CA12 (0.71) CA12CA9CA2CA1CA7
Saccharin SCHEMBL29733582 0.91 CA12 (0.76) CA12CA9CA2CA1CA7
Saccharin SCHEMBL10899217 0.91 CA12 (0.96) CA12CA9CA2CA1CA7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150283157-A1 HYPERSULFATED DISACCHARIDES TO TREAT ELASTASE RELATED DISORDERS OPKO HEALTH INC (US) 2015-10-08 US disclosed
EP-2632259-A1 HYPERSULFATED DISACCHARIDES TO TREAT ELASTASE RELATED DISORDERS OPKO Health, Inc. (US) 2013-09-04 EP disclosed
CN-103269585-A Hypersulfated disaccharides to treat elastase related disorders OPKO HEALTH INC 2013-08-28 CN disclosed
US-20130203695-A1 HYPERSULFATED DISACCHARIDES TO TREAT ELASTASE RELATED DISORDERS OPKO HEALTH, INC. (US) 2013-08-08 US disclosed
WO-2012058424-A1 HYPERSULFATED DISACCHARIDES TO TREAT ELASTASE RELATED DISORDERS OPKO HEALTH, INC. (US) 2012-05-03 WO 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-20150283157-A1 HYPERSULFATED DISACCHARIDES TO TREAT ELASTASE RELATED DISORDERS ELANE, SERPINB1, CELA1 NTRK3 4829/4885CA12 525/4885CA9 1680/4885
US-20130203695-A1 HYPERSULFATED DISACCHARIDES TO TREAT ELASTASE RELATED DISORDERS ELANE, SERPINB1, CELA1 NTRK3 4827/4885CA12 530/4885CA9 1690/4885

“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.