SCHEMBL16059792

SCHEMBL16059792

O=C[C@@H](OCc1ccccc1)[C@@H](O)[C@H](O)[C@@H](O)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RCE1 Q9Y256 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL10351575 1.00 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL9095023 1.00 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL27671067 1.00 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL3007008 1.00 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL1560449 0.95 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL5271501 0.95 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL27671081 0.95 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL4601140 0.95 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1KMT2AMEN1
Deoxyglucose SCHEMBL27671070 0.92 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1KMT2AMEN1
Butyl Alcohol SCHEMBL27866800 0.90 CTSK (0.36) SLC1A3SLC1A2SLC1A1KMT2AMEN1

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-9919055-B2 Sugar-linker-drug conjugates ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-20 US disclosed
US-20160045611-A1 SUGAR-LINKER-DRUG CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-18 US disclosed
US-20160038615-A1 SACCHARIDE CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-11 US disclosed
EP-2968381-A1 SUGAR-LINKER-DRUG CONJUGATES Hecht, Sidney (US) 2016-01-20 EP disclosed
WO-2014152718-A1 SACCHARIDE CONJUGATES ARIZONA BOARD OF REGENTS, FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2014-09-25 WO disclosed
WO-2014145109-A1 SUGAR-LINKER-DRUG CONJUGATES ARIZONA BOARD OF REGENTS, FOR AND ON BEHALF OF, ARIZONA STATE UNIVERSITY (US) 2014-09-18 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 (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-20160045611-A1 SUGAR-LINKER-DRUG CONJUGATES FUT5, FUT6, B3GNT2 SLC1A3 407/4885SLC1A2 533/4885SLC1A1 365/4885
US-20160038615-A1 SACCHARIDE CONJUGATES BLM, DCLRE1A, MAN1B1 SLC1A3 1815/4885SLC1A2 2358/4885SLC1A1 2009/4885

“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.