SCHEMBL20132940

SCHEMBL20132940

CC(=O)NC1C(OCCN)OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDNF P23560 3/20 0.51
PTN P21246 2/20 0.51
MDK P21741 2/20 0.51
FGF1 P05230 4/20 0.41
FGF2 P09038 3/20 0.41
CXCL12 P48061 3/20 0.39
VEGFA P15692 3/20 0.39
BMP2 P12643 2/20 0.39
SHH Q15465 2/20 0.39
MAPK1 P28482 1/20 0.37
F10 P00742 1/20 0.37
HPSE Q9Y251 2/20 0.37
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCL2 P13500 2/20 0.36
CXCL10 P02778 1/20 0.36
CXCL8 P10145 1/20 0.36
CCL5 P13501 1/20 0.36

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
SCHEMBL30728023 0.87 FGF1 (0.49) BDNFPTNMDKFGF1FGF2
SCHEMBL20133080 0.84 MAPK1 (0.51) BDNFPTNMDKCXCL12VEGFA
SCHEMBL18159115 0.80 BDNF (0.59) BDNFPTNMDKFGF1FGF2
SCHEMBL4957225 0.75 CXCL10 (0.43) BDNFPTNMDKFGF1FGF2
SCHEMBL2466010 0.75 CXCL10 (0.43) BDNFPTNMDKFGF1FGF2
SCHEMBL29535179 0.74 BDNF (0.45) BDNFPTNMDKFGF1FGF2
SCHEMBL29535178 0.74 BDNF (0.45) BDNFPTNMDKFGF1FGF2
SCHEMBL17287183 0.74 CYP3A4 (0.61) CYP3A4MAPTCYP2C9CYP2C19POLB
SCHEMBL10897393 0.74 CYP3A4 (0.61) CYP3A4MAPTCYP2C9CYP2C19POLB
SCHEMBL10897931 0.74 CYP3A4 (0.61) CYP3A4MAPTCYP2C9CYP2C19POLB

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 BDNF 2020/4885PTN 386/4885MDK 1000/4885
US-20180125924-A1 SUPRAMOLECULAR GLYCOSAMINOGLYCANS HPSE, CD44, GHITM BDNF 2020/4885PTN 386/4885MDK 1000/4885
US-10792327-B2 Supramolecular gylcosaminoglycans HPSE, CD44, GYPA BDNF 2325/4885PTN 743/4885MDK 1433/4885

“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.