SCHEMBL15965649

SCHEMBL15965649

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
HK2 P52789 6/20 0.53
HK1 P19367 5/20 0.49
MAPK1 P28482 1/20 0.43
ASGR1 P07306 1/20 0.41
PYGB P11216 6/20 0.40
GAA P10253 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
SCHEMBL14520981 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL15966250 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL15966292 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL12371561 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL17210624 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL8930010 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL15966273 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL15590477 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL21753475 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL13012256 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2

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-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-20160376585-A1 OLIGONUCLEOTIDE-LIGAND CONJUGATES AND PROCESS FOR THEIR PREPARATION BANK OF AMERICA, N.A. 2016-12-29 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 (2 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-20160376585-A1 OLIGONUCLEOTIDE-LIGAND CONJUGATES AND PROCESS FOR THEIR PREPARATION IGF2R, IRS1, INSR KDM4E 4685/4885LMNA 587/4885CYP2D6 4469/4885
US-20140235575-A1 CHEMOENZYMATIC SYNTHESIS OF HEPARIN AND HEPARAN SULFATE ANALOGS HPSE, ENGASE, GALE KDM4E 1727/4885LMNA 4542/4885CYP2D6 386/4885

“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.