SCHEMBL17521872

SCHEMBL17521872

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2D6 P10635 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CA9 Q16790 5/20 0.33
▸ CA12 O43570 4/20 0.33
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ PKM P14618 1/20 0.32
▸ CD69 Q07108 1/20 0.32
▸ PRKCA P17252 2/20 0.32
▸ PRKD3 O94806 1/20 0.32

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
SCHEMBL17521958 1.00 NR3C1 (0.35) NR3C1FYNADRA2AADORA3ADRA2B
SCHEMBL19770013 1.00 NR3C1 (0.35) NR3C1FYNADRA2AADORA3ADRA2B
SCHEMBL15927274 1.00 NR3C1 (0.35) NR3C1FYNADRA2AADORA3ADRA2B
SCHEMBL9925414 0.92 NR3C1 (0.32) NR3C1FYNADRA2AADORA3ADRA2B
SCHEMBL17532215 0.92 NR3C1 (0.32) NR3C1FYNADRA2AADORA3ADRA2B
SCHEMBL10028971 0.90 NR3C1 (0.35) NR3C1FYNADRA2AADORA3ADRA2B
SCHEMBL15961753 0.90 NR3C1 (0.35) NR3C1FYNADRA2AADORA3ADRA2B
SCHEMBL19239886 0.90 NR3C1 (0.35) NR3C1FYNADRA2AADORA3ADRA2B
SCHEMBL25481056 0.86 NR3C1 (0.43) NR3C1FYNADRA2AADORA3ADRA2B
SCHEMBL17701926 0.84 CA9 (0.43) NR3C1FYNADRA2AADORA3ADRA2B

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 NR3C1 2822/4885FYN 1823/4885ADRA2A 3227/4885
US-20160038615-A1 SACCHARIDE CONJUGATES BLM, DCLRE1A, MAN1B1 NR3C1 4681/4885FYN 3754/4885ADRA2A 4781/4885

“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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