SCHEMBL20516510

SCHEMBL20516510

CC(=O)CC1O[C@H](O[C@H]2C(OS(=O)(=O)O)C(CO)OC(O)[C@H]2NC(C)=O)[C@@H](O)C(O)C1O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 7/20 0.48
▸ LGALS8 O00214 1/20 0.48
▸ LGALS4 P56470 1/20 0.48
▸ MAPK1 P28482 2/20 0.46
▸ BDNF P23560 2/20 0.42
▸ PTN P21246 1/20 0.42
▸ MDK P21741 1/20 0.42
▸ CD69 Q07108 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ LGALS1 P09382 1/20 0.39
▸ LGALS7; LGALS7B P47929 1/20 0.39
▸ LGALS9 O00182 1/20 0.38
▸ CHIA Q9BZP6 1/20 0.38

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
SCHEMBL5790851 0.86 MDK (0.53) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL18079769 0.86 MDK (0.53) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL29531877 0.86 MDK (0.53) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL29535260 0.86 MDK (0.53) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL30089312 0.84 LGALS3 (0.54) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL29489963 0.83 SELL (0.48) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL13321878 0.83 MDK (0.61) LGALS3LGALS8LGALS4MAPK1BDNF
SCHEMBL29535351 0.82 MAPK1 (0.53) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL29535303 0.82 MAPK1 (0.53) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL10488345 0.81 MAPK1 (0.65) LGALS3LGALS8LGALS4MAPK1CD69

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-20220023325-A1 SPECIFIC TLR4 ANTAGONIST IN THE TREATMENT OF MULTIPLE MYELOMA UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2022-01-27 — — US disclosed
US-20210128594-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISORDERS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-05-06 — — US disclosed
US-10668092-B2 Compositions and methods for treatment of inflammatory disorders THE JOHN HOPKINS UNIVERSITY (US) 2020-06-02 — — US disclosed
EP-3558323-A1 SPECIFIC TLR4 ANTAGONIST IN THE TREATMENT OF MULTIPLE MYELOMA Etablissement Français du Sang (FR) 2019-10-30 — — EP disclosed
US-20180280418-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISORDERS THE JOHNS HOPKINS UNIVERSITY 2018-10-04 — — 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 (4 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-20180280418-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISORDERS TLR4, TLR3, TLR2 LGALS3 181/4885LGALS8 357/4885LGALS4 201/4885
US-20220023325-A1 SPECIFIC TLR4 ANTAGONIST IN THE TREATMENT OF MULTIPLE MYELOMA TLR4, TLR3, TLR2 LGALS3 503/4885LGALS8 526/4885LGALS4 154/4885
US-10668092-B2 Compositions and methods for treatment of inflammatory disorders TLR4, TLR3, TLR2 LGALS3 181/4885LGALS8 357/4885LGALS4 201/4885
US-20210128594-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISORDERS TLR4, TLR3, TLR2 LGALS3 181/4885LGALS8 357/4885LGALS4 201/4885

“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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