SCHEMBL17521934

SCHEMBL17521934

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 13/20 0.43
▸ CA12 O43570 12/20 0.43
▸ CA1 P00915 12/20 0.43
▸ CA9 Q16790 7/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ 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 5/20 0.39
▸ CA5A P35218 5/20 0.39
▸ CA7 P43166 5/20 0.39
▸ CA5B Q9Y2D0 5/20 0.39
▸ MAPT P10636 1/20 0.38

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
SCHEMBL13938174 0.93 THRB (0.47) CA2CA12CA1CA9CYP2D6
SCHEMBL19396312 0.93 THRB (0.47) CA2CA12CA1CA9CYP2D6
SCHEMBL17521873 0.93 THRB (0.47) CA2CA12CA1CA9CYP2D6
SCHEMBL16126861 0.89 CA2 (0.54) CA2CA12CA1CA9CYP2D6
SCHEMBL28631932 0.89 CA2 (0.54) CA2CA12CA1CA9CYP2D6
SCHEMBL16127058 0.89 CA2 (0.54) CA2CA12CA1CA9CYP2D6
SCHEMBL17502020 0.89 CA2 (0.54) CA2CA12CA1CA9CYP2D6
SCHEMBL21454715 0.88 THRB (0.48) CA2CA12CA1CA9CYP2D6
SCHEMBL17521933 0.86 CYP2D6 (0.51) CA2CA12CA1CA9CYP2D6
SCHEMBL17532215 0.86 NR3C1 (0.32) CA2CA12CA1CA9CYP2D6

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 CA2 2791/4885CA12 483/4885CA1 1492/4885
US-20160038615-A1 SACCHARIDE CONJUGATES BLM, DCLRE1A, MAN1B1 CA2 3410/4885CA12 283/4885CA1 1331/4885

“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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