SCHEMBL599258

SCHEMBL599258

CS(=O)(=O)OC1CC(CCOCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.42
TSHR P16473 1/20 0.38
PDE4D Q08499 1/20 0.38
EPHX2 P34913 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 3/20 0.35
PKM P14618 2/20 0.34
NPC1 O15118 1/20 0.34
AR P10275 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LTA4H P09960 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10172022 1.00 AGTR2 (0.42) AGTR2TSHRPDE4DEPHX2CA1
SCHEMBL5788946 0.86 CTSL (0.41) AGTR2TSHRCA1CA2CA9
SCHEMBL2647154 0.78 CTSL (0.43) AGTR2EPHX2CA1CA2CA9
SCHEMBL428528 0.78 CTSL (0.43) AGTR2EPHX2CA1CA2CA9
SCHEMBL17443117 0.78 CTSL (0.43) AGTR2EPHX2CA1CA2CA9
SCHEMBL599768 0.77 PDE4D (0.49) AGTR2TSHRPDE4DEPHX2CA1
SCHEMBL599769 0.77 PDE4D (0.49) AGTR2TSHRPDE4DEPHX2CA1
SCHEMBL600068 0.77 PDE4D (0.49) AGTR2TSHRPDE4DEPHX2CA1
SCHEMBL28169939 0.77 AGTR2 (0.44) AGTR2TSHRPDE4DEPHX2SMN1; SMN2
SCHEMBL15095289 0.77 LMNA (0.37) AGTR2TSHRCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114994-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2012-02-14 US disclosed
EP-1828145-A4 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION UNIV EMORY (US) 2009-08-19 EP disclosed
US-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-11 US disclosed
US-7495006-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2009-02-24 US disclosed
EP-1828145-A2 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION EMORY UNIVERSITY (US) 2007-09-05 EP disclosed
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY 2006-10-05 US disclosed
WO-2006063281-A2 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION EMORY UNIVERSITY (US) 2006-06-15 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 (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-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation HAVCR2, PNP, PCNA AGTR2 3862/4885TSHR 3945/4885PDE4D 2012/4885
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation HAVCR2, PNP, DCTD AGTR2 3787/4885TSHR 3775/4885PDE4D 1615/4885

“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.