SCHEMBL15965643

SCHEMBL15965643

CCCC(=O)NC1C(O)OC(CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYGB P11216 6/20 0.66
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
GAA P10253 1/20 0.49
HK2 P52789 5/20 0.48
HK1 P19367 4/20 0.48
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL29142537 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL14620999 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL5160455 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL15966251 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL14653772 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL15966275 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL14520986 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL5158214 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL22166026 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19
SCHEMBL5160461 1.00 PYGB (0.66) PYGBKDM4ELMNACYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181607-A1 THIOSACCHARIDES FOR USE IN TREATING CORONAVIRUS INFECTION The University of the Regents of California (US) 2023-06-15 US disclosed
US-20180111955-A1 THIOSACCHARIDE MUCOLYTIC AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-04-26 US disclosed
US-9856283-B2 Thiosaccharide mucolytic agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-01-02 US disclosed
US-20170204444-A9 CHEMOENZYMATIC SYNTHESIS OF HEPARIN AND HEPARAN SULFATE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-20 US disclosed
US-20170016040-A1 CHEMOENZYMATIC SYNTHESIS OF HEPARIN AND HEPARAN SULFATE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-19 US disclosed
US-9290530-B2 Chemoenzymatic synthesis of heparin and heparan sulfate analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-22 US disclosed
US-20160060284-A1 THIOSACCHARIDE MUCOLYTIC AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-03 US disclosed
US-20140235575-A1 CHEMOENZYMATIC SYNTHESIS OF HEPARIN AND HEPARAN SULFATE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-21 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-20140235575-A1 CHEMOENZYMATIC SYNTHESIS OF HEPARIN AND HEPARAN SULFATE ANALOGS HPSE, ENGASE, GALE PYGB 898/4885KDM4E 1727/4885LMNA 4542/4885
US-20180111955-A1 THIOSACCHARIDE MUCOLYTIC AGENTS MUC1, TREH, FUT6 PYGB 3833/4885KDM4E 4766/4885LMNA 3808/4885
US-20160060284-A1 THIOSACCHARIDE MUCOLYTIC AGENTS MUC1, TREH, FUT6 PYGB 3833/4885KDM4E 4766/4885LMNA 3808/4885
US-20230181607-A1 THIOSACCHARIDES FOR USE IN TREATING CORONAVIRUS INFECTION TMPRSS4, ACE, ACE2 PYGB 3255/4885KDM4E 4488/4885LMNA 4739/4885

“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.