SCHEMBL15966252

SCHEMBL15966252

O=C(N[C@@H]1C(O)OC(CO)[C@@H](O)C1O)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HK1 P19367 8/20 0.85
HK2 P52789 8/20 0.85
LGALS9 O00182 2/20 0.66
LGALS1 P09382 2/20 0.66
LGALS3 P17931 2/20 0.66
LGALS7; LGALS7B P47929 2/20 0.66
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL17766481 1.00 HK1 (0.85) HK1HK2LGALS9LGALS1LGALS3
SCHEMBL20202233 1.00 HK1 (0.85) HK1HK2LGALS9LGALS1LGALS3
SCHEMBL20202229 1.00 HK1 (0.85) HK1HK2LGALS9LGALS1LGALS3
SCHEMBL15965651 1.00 HK1 (0.85) HK1HK2LGALS9LGALS1LGALS3
SCHEMBL8773129 1.00 HK1 (0.85) HK1HK2LGALS9LGALS1LGALS3
SCHEMBL18390973 1.00 HK1 (0.85) HK1HK2LGALS9LGALS1LGALS3
SCHEMBL18390838 1.00 HK1 (0.85) HK1HK2LGALS9LGALS1LGALS3
SCHEMBL14520984 1.00 HK1 (0.85) HK1HK2LGALS9LGALS1LGALS3
SCHEMBL15965644 1.00 HK1 (0.85) HK1HK2LGALS9LGALS1LGALS3
SCHEMBL15966253 1.00 HK1 (0.85) HK1HK2LGALS9LGALS1LGALS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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 HK1 51/4885HK2 111/4885LGALS9 706/4885

“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.