SCHEMBL20133080

SCHEMBL20133080

CC(=O)NC1C(OCCN)OC(COS(=O)(=O)O)C(O)C1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ BDNF P23560 3/20 0.47
▸ PTN P21246 2/20 0.47
▸ MDK P21741 2/20 0.47
▸ HPSE Q9Y251 2/20 0.45
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LGALS8 O00214 1/20 0.41
▸ LGALS3 P17931 1/20 0.41
▸ LGALS4 P56470 1/20 0.41
▸ IGF2R P11717 2/20 0.41
▸ B4GALT1 P15291 1/20 0.40
▸ BMP2 P12643 1/20 0.40
▸ VEGFA P15692 1/20 0.40
▸ CXCL12 P48061 1/20 0.40

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
SCHEMBL18159076 0.84 BDNF (0.58) MAPK1BDNFPTNMDKHPSE
SCHEMBL20132940 0.84 BDNF (0.51) MAPK1BDNFPTNMDKHPSE
SCHEMBL17002053 0.84 CA2 (0.47) MAPK1BDNFPTNMDKHPSE
SCHEMBL13702251 0.83 MAPK1 (0.71) MAPK1CA1CA2CA9ALDH1A1
SCHEMBL21018974 0.83 MAPK1 (0.71) MAPK1CA1CA2CA9ALDH1A1
SCHEMBL19903782 0.83 MAPK1 (0.71) MAPK1CA1CA2CA9ALDH1A1
SCHEMBL21940522 0.83 MAPK1 (0.71) MAPK1CA1CA2CA9ALDH1A1
SCHEMBL22576748 0.83 MAPK1 (0.71) MAPK1CA1CA2CA9ALDH1A1
SCHEMBL4290431 0.83 MAPK1 (0.71) MAPK1CA1CA2CA9ALDH1A1
SCHEMBL3717192 0.83 MAPK1 (0.71) MAPK1CA1CA2CA9ALDH1A1

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-20210015888-A1 SUPRAMOLECULAR GLYCOSAMINOGLYCANS NORTHWESTERN UNIVERSITY 2021-01-21 — — US disclosed
US-10792327-B2 Supramolecular gylcosaminoglycans NORTHWESTERN UNIVERSITY (US) 2020-10-06 — — US disclosed
US-20180125924-A1 SUPRAMOLECULAR GLYCOSAMINOGLYCANS NORTHWESTERN UNIVERSITY 2018-05-10 — — 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-20210015888-A1 SUPRAMOLECULAR GLYCOSAMINOGLYCANS HPSE, CD44, GHITM MAPK1 2077/4885BDNF 2020/4885PTN 386/4885
US-20180125924-A1 SUPRAMOLECULAR GLYCOSAMINOGLYCANS HPSE, CD44, GHITM MAPK1 2077/4885BDNF 2020/4885PTN 386/4885
US-10792327-B2 Supramolecular gylcosaminoglycans HPSE, CD44, GYPA MAPK1 2919/4885BDNF 2325/4885PTN 743/4885

“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.

Send feedback