SCHEMBL4409830

SCHEMBL4409830

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 8/20 0.51
CA12 O43570 7/20 0.51
CA2 P00918 7/20 0.51
CA1 P00915 6/20 0.51
TSHR P16473 2/20 0.40
CYP2D6 P10635 3/20 0.34
OGA O60502 1/20 0.34
THRB P10828 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR3C1 P04150 1/20 0.33
FYN P06241 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADRA2B P18089 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
CYP3A4 P08684 2/20 0.32
PTPN1 P18031 2/20 0.32
RPS6KA3 P51812 1/20 0.31
RPS6KA1 Q15418 1/20 0.31

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
SCHEMBL14022962 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL8432075 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL12975857 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL16620453 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL23563178 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL15596615 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL23133262 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL18814012 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL13697192 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR
SCHEMBL14268499 1.00 CA9 (0.51) CA9CA12CA2CA1TSHR

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220041641-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION SENDA BIOSCIENCES INC (US) 2022-02-10 US disclosed
EP-3891751-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION Senda Biosciences, Inc. (US) 2021-10-13 EP disclosed
WO-2020118238-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION KINTAI THERAPEUTICS, INC. (US) 2020-06-11 WO disclosed
US-20130012466-A1 COLCHICINE NEOGLYCOSIDES AND METHODS FOR THEIR SYNTHESIS AND USE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-10 US disclosed
US-20120245054-A1 High-Throughput Assay for Sugar-Mediated Drug Transport WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-09-27 US disclosed
US-8232254-B2 Colchicine glycosylated to include a sugar moiety on a methoxyamino-appended colchicine; cytolysis equivalent to paclitaxel and doxorubicin; stabilizers of tubulin formation; anticarcinogenic -arthritic agents; Mediterranean fever, amyloidosis, scleroderma, irritable bowel syndrome or gout WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-07-31 US disclosed
US-8211654-B2 High-throughput assay for sugar-mediated drug transport WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-07-03 US disclosed
US-20090317829-A1 High-throughput assay for sugar-mediated drug transport WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-12-24 US disclosed
US-20080171787-A1 COLCHICINE NEOGLYCOSIDES AND METHODS FOR THEIR SYNTHESIS AND USE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-07-17 US disclosed
EP-0553297-B1 PROCESS FOR THE PREPARATION OF GLYCOSYL PHOSPHATE TRIESTERS DU PONT (US) 1995-01-25 EP disclosed
US-5288859-A Reacting metal azide with glycosyl phosphate triester E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-02-22 US disclosed
EP-0553297-A1 PROCESS FOR THE PREPARATION OF GLYCOSYL PHOSPHATE TRIESTERS. DU PONT (US) 1993-08-04 EP disclosed
WO-1992009612-A1 PROCESS FOR THE PREPARATION OF GLYCOSYL PHOSPHATE TRIESTERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed
US-5095123-A Phosphorylation E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-10 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 (3 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-20080171787-A1 COLCHICINE NEOGLYCOSIDES AND METHODS FOR THEIR SYNTHESIS AND USE TUBB6, TUBB, TUBA1C CA9 2179/4885CA12 975/4885CA2 3733/4885
US-20220041641-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION SLC10A2, SLC10A1, BCAT2 CA9 508/4885CA12 1858/4885CA2 284/4885
US-20130012466-A1 COLCHICINE NEOGLYCOSIDES AND METHODS FOR THEIR SYNTHESIS AND USE TUBB6, TUBB, TUBA1C CA9 2179/4885CA12 975/4885CA2 3733/4885

“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.