SCHEMBL2028232

SCHEMBL2028232

CC(C)(C)OC(=O)NCc1ccc(CCS(=O)(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
NAMPT P43490 2/20 0.47
GAA P10253 1/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC1 Q13547 2/20 0.43
POLB P06746 1/20 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
SCHEMBL3180689 0.84 L3MBTL1 (0.61) L3MBTL1CA1CA2NAMPTGAA
SCHEMBL26148065 0.82 L3MBTL1 (0.53) L3MBTL1CA1CA2NAMPTGAA
SCHEMBL8138303 0.81 L3MBTL1 (0.52) L3MBTL1CA1CA2NAMPTGAA
SCHEMBL507480 0.81 L3MBTL1 (0.52) L3MBTL1CA1CA2NAMPTGAA
SCHEMBL24542517 0.79 L3MBTL1 (0.51) L3MBTL1CA1CA2NAMPTGAA
SCHEMBL1852791 0.79 EPHX2 (0.58) L3MBTL1CA1CA2NAMPTGAA
SCHEMBL6376608 0.79 TDP1 (0.51) L3MBTL1CA1CA2NAMPTGAA
Hydrochloric Acid SCHEMBL23270117 0.79 L3MBTL1 (0.51) L3MBTL1CA1CA2NAMPTGAA
SCHEMBL5747846 0.79 CTSK (0.51) L3MBTL1CA1CA2NAMPTGAA
SCHEMBL10165179 0.79 NAMPT (0.56) L3MBTL1CA1CA2NAMPTGAA

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
EP-2176277-B1 NUCLEOTIDES AND APTAMERS CONTAINING BORONIC ACID GROUPS HAVING BIASED BINDING TO GLYCOSYLATED PROTEINS, AND USES THEREOF UNIV GEORGIA STATE RES FOUND (US) 2016-02-24 EP disclosed
US-9096856-B2 Nucleotides and aptamers containing boronic acid groups having biased binding to glycosylated proteins, and uses thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2015-08-04 US disclosed
US-20130184160-A1 NUCLEOTIDES AND APTAMERS CONTAINING BORONIC ACID GROUPS HAVING BIASED BINDING TO GLYCOSYLATED PROTEINS, AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-07-18 US disclosed
US-20110144187-A1 APTAMER INHIBITION OF THROMBUS FORMATION GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION 2011-06-16 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-20130184160-A1 NUCLEOTIDES AND APTAMERS CONTAINING BORONIC ACID GROUPS HAVING BIASED BINDING TO GLYCOSYLATED PROTEINS, AND USES THEREOF TENT4A, PABPC4, NUDT21 L3MBTL1 971/4885CA1 3488/4885CA2 3556/4885
US-20110144187-A1 APTAMER INHIBITION OF THROMBUS FORMATION FGB, F13B, GP6 L3MBTL1 404/4885CA1 2591/4885CA2 2636/4885

“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.