SCHEMBL8225871

SCHEMBL8225871

CC(=O)OC1C(O)OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.51
TACR2 P21452 3/20 0.48
PTPN1 P18031 9/20 0.48
CDC25B P30305 7/20 0.48
PTPN2 P17706 5/20 0.46
PTPN11 Q06124 5/20 0.46
PTPN6 P29350 4/20 0.46
BCHE P06276 1/20 0.46
SSTR1 P30872 1/20 0.45
SSTR2 P30874 1/20 0.45
SSTR4 P31391 1/20 0.45
SSTR3 P32745 1/20 0.45
SSTR5 P35346 1/20 0.45
TSHR P16473 1/20 0.44
HTR1A P08908 1/20 0.44

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
SCHEMBL2482599 1.00 NT5E (0.51) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL18241576 1.00 NT5E (0.51) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL18744567 1.00 NT5E (0.51) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL20295300 1.00 NT5E (0.51) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL19731824 1.00 NT5E (0.51) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL4181388 1.00 NT5E (0.51) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL1775945 0.95 NT5E (0.48) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL1775948 0.95 NT5E (0.48) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL22073055 0.93 TSHR (0.50) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL5198375 0.92 TACR2 (0.51) NT5ETACR2PTPN1CDC25BPTPN2

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-9624255-B2 Carbohydrate-mediated tumor targeting ARIZONA BOARD OF REGENTS (US) 2017-04-18 US disclosed
US-20120148502-A1 Carbohydrate-Mediated Tumor Targeting Arizona Board of Regents, a body corporate of the State of Ariz. acting for and on behalf of Ariz. (US) 2012-06-14 US disclosed
WO-2011019419-A1 CARBOHYDRATE-MEDIATED TUMOR TARGETING ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2011-02-17 WO 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-20120148502-A1 Carbohydrate-Mediated Tumor Targeting CA14, CA13, CA12 NT5E 4198/4885TACR2 1286/4885PTPN1 3098/4885

“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.