SCHEMBL17521933

SCHEMBL17521933

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CA2 P00918 9/20 0.50
▸ LMNA P02545 1/20 0.44
▸ CA12 O43570 8/20 0.43
▸ CA1 P00915 7/20 0.43
▸ CA9 Q16790 6/20 0.43
▸ TSHR P16473 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ CA4 P22748 2/20 0.41
▸ CA5A P35218 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA5B Q9Y2D0 2/20 0.41

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
SCHEMBL15444981 0.93 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL15102101 0.93 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL25612428 0.93 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL15444975 0.93 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL19396308 0.93 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL29324991 0.93 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL10819141 0.93 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL16169885 0.93 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL9925403 0.93 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL16126839 0.89 CYP2D6 (0.64) CYP2D6THRBHSD17B10CA2CA12

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-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 CYP2D6 295/4885THRB 2505/4885HSD17B10 403/4885
US-20160038615-A1 SACCHARIDE CONJUGATES BLM, DCLRE1A, MAN1B1 CYP2D6 4518/4885THRB 4215/4885HSD17B10 3317/4885

“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.

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