SCHEMBL15928762

SCHEMBL15928762

C[C@H](O)C(CO)OC(O)CCO

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL22703583 1.00 THRB (0.40) THRBTDP1ALDH1A1ALOX15
SCHEMBL27422823 0.83 TDP1 (0.38) TDP1
SCHEMBL17309050 0.79 TSHR (0.55) TDP1
SCHEMBL13468125 0.78 THRB (0.32) THRBTDP1
SCHEMBL10979391 0.75
SCHEMBL24316732 0.75 TDP1 (0.40) TDP1
SCHEMBL13770693 0.75 TDP1 (0.40) TDP1
SCHEMBL18653753 0.75 TDP1 (0.40) TDP1
SCHEMBL14469398 0.75 TDP1 (0.40) TDP1
SCHEMBL27548809 0.75 ALDH1A1 (0.39) THRBTDP1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151400-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS UNIV JOHNS HOPKINS (US) 2016-06-02 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-9067960-B2 Hybrid SCFA-hydroxyl-derivatized monosaccharides, methods of synthesis, and methods of treating disorders THE JOHNS HOPKINS UNIVERSITY (US) 2015-06-30 US disclosed
US-8916544-B2 Hybrid SCFA-hydroxyl-derivatized monosaccharides, methods of synthesis, and methods of treating disorders THE JOHNS HOPKINS UNIVERSITY (US) 2014-12-23 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
US-20140220630-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2014-08-07 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-20140235575-A1 CHEMOENZYMATIC SYNTHESIS OF HEPARIN AND HEPARAN SULFATE ANALOGS HPSE, ENGASE, GALE THRB 4148/4885TDP1 3425/4885ALDH1A1 581/4885
US-20140220630-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN THRB 1604/4885TDP1 4349/4885ALDH1A1 177/4885
US-20160151400-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN THRB 1604/4885TDP1 4349/4885ALDH1A1 177/4885

“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.