SCHEMBL4227579

SCHEMBL4227579

Cc1ccc(S(=O)(=O)n2ccc(CCO)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.52
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
GRM4 Q14833 1/20 0.43
ALDH1A1 P00352 3/20 0.41
PKM P14618 3/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MMP2 P08253 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 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
SCHEMBL4521506 0.88 CA1 (0.54) HTR6CA1CA2GRM4ALDH1A1
SCHEMBL14005233 0.86 HTR6 (0.46) HTR6CA1CA2GRM4ALDH1A1
SCHEMBL4223924 0.85 HTR6 (0.52) HTR6CA1CA2GRM4ALDH1A1
SCHEMBL14005226 0.85 HTR6 (0.52) HTR6CA1CA2GRM4ALDH1A1
SCHEMBL18920680 0.84 HTR6 (0.52) HTR6CA1CA2GRM4ALDH1A1
SCHEMBL13891891 0.82 HTR6 (0.50) HTR6CA1CA2GRM4ALDH1A1
SCHEMBL13891892 0.82 HTR6 (0.50) HTR6CA1CA2GRM4ALDH1A1
SCHEMBL27572536 0.82 CA1 (0.45) HTR6CA1CA2GRM4ALDH1A1
SCHEMBL21806794 0.81 CA1 (0.54) HTR6CA1CA2GRM4ALDH1A1
SCHEMBL13757301 0.81 HTR6 (0.49) HTR6CA1CA2GRM4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2017-04-20 US disclosed
US-9566340-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2016-04-14 US disclosed
US-9198972-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2015-12-01 US disclosed
US-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACEUTICALS, INC. (US) 2013-02-28 US disclosed
WO-2009006089-A2 A2 ADENOSINE RECEPTOR AGONISTS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-01-08 WO disclosed
US-7446186-B2 Pyrroles substituted by oligonucleotides BIOMERIEUX (FR) 2008-11-04 US disclosed
US-7446186-B2 Pyrroles substituted by oligonucleotides BIOMERIEUX (FR) 2008-11-04 US disclosed
EP-1578759-A1 PYRROLES SUBSTITUTED BY OLIGONUCLEOTIDES BIOMERIEUX SA (FR) 2005-09-28 EP disclosed
WO-2004060904-A1 PYRROLES SUBSTITUTED BY OLIGONUCLEOTIDES BIOMERIEUX SA (FR) 2004-07-22 WO 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-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) DNMT1, FANCI, PCNA HTR6 4335/4885CA1 3530/4885CA2 3600/4885
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 HTR6 4340/4885CA1 3275/4885CA2 3237/4885
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 HTR6 4340/4885CA1 3275/4885CA2 3237/4885

“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.