SCHEMBL17502089

SCHEMBL17502089

CC(=O)OC[C@H]1O[C@H](O)[C@@H](OCc2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
LMNA P02545 2/20 0.54
ALDH1A1 P00352 2/20 0.53
CYP2D6 P10635 2/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.51
PTPN1 P18031 1/20 0.48
CA12 O43570 6/20 0.47
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
CA4 P22748 6/20 0.47
CA5A P35218 6/20 0.47
CA7 P43166 6/20 0.47
CA5B Q9Y2D0 6/20 0.47
CA6 P23280 4/20 0.47
CA9 Q16790 4/20 0.47
CA13 Q8N1Q1 4/20 0.47
CA14 Q9ULX7 4/20 0.47
THRB P10828 1/20 0.45

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
SCHEMBL17502004 0.95 TSHR (0.59) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL21219187 0.95 TSHR (0.59) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL17502058 0.95 TSHR (0.59) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL13380996 0.91 TSHR (0.50) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL20870237 0.91 TSHR (0.50) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL20287904 0.91 TSHR (0.50) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL3136372 0.91 TSHR (0.50) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL30039523 0.91 TSHR (0.50) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL22073055 0.91 TSHR (0.50) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL9407631 0.90 TSHR (0.52) TSHRLMNAALDH1A1CYP2D6MAPK1

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-9919055-B2 Sugar-linker-drug conjugates ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-20 US disclosed
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

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 TSHR 2162/4885LMNA 1508/4885ALDH1A1 37/4885
US-20160038615-A1 SACCHARIDE CONJUGATES BLM, DCLRE1A, MAN1B1 TSHR 3086/4885LMNA 2242/4885ALDH1A1 3629/4885

“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.