SCHEMBL2028233

SCHEMBL2028233

CC(C)(C)OC(=O)C(N)c1ccc(CCS(=O)(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.39
S1PR2 O95136 1/20 0.39
S1PR3 Q99500 1/20 0.39
CA2 P00918 7/20 0.36
CA1 P00915 4/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
PMP22 Q01453 1/20 0.34
NLRP3 Q96P20 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
RECQL P46063 1/20 0.33
SLC7A5 Q01650 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
SCHEMBL27846898 0.83 TAAR1 (0.39) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL28162095 0.81 FFAR1 (0.45) CA2CA1LMNA
SCHEMBL855255 0.80 LOXL2 (0.41) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL3643384 0.80 PPARG (0.41) CA2CA1CYP3A4CYP1A2CYP2D6
SCHEMBL27756025 0.80 PTGS2 (0.34) CA2CA1CYP3A4CYP1A2CYP2D6
Ammonia Solution, Strong SCHEMBL23885016 0.79 LOXL2 (0.40) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL27364974 0.79 CYP3A4 (0.41) CA2CA1CYP3A4CYP1A2CYP2D6
SCHEMBL7249558 0.77 CYP4F2 (0.55)
SCHEMBL5212646 0.77 ANPEP (0.43) CA2CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL8127986 0.77 CYP3A4 (0.38) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1

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 S1PR1 2714/4885S1PR2 2941/4885S1PR3 3033/4885
US-20110144187-A1 APTAMER INHIBITION OF THROMBUS FORMATION FGB, F13B, GP6 S1PR1 4304/4885S1PR2 4456/4885S1PR3 4500/4885

“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.