SCHEMBL599079

SCHEMBL599079

OC1CC(COCc2ccccc2)C1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
PDE4D Q08499 1/20 0.42
SCN9A Q15858 2/20 0.41
AGTR2 P50052 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
MTAP Q13126 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL599977 1.00 TSHR (0.45) TSHRPDE4DSCN9AAGTR2TAAR1
SCHEMBL599983 1.00 TSHR (0.45) TSHRPDE4DSCN9AAGTR2TAAR1
SCHEMBL10171785 1.00 TSHR (0.45) TSHRPDE4DSCN9AAGTR2TAAR1
SCHEMBL600095 1.00 TSHR (0.45) TSHRPDE4DSCN9AAGTR2TAAR1
SCHEMBL10171946 0.83 TSHR (0.48) TSHRPDE4DSCN9AAGTR2TAAR1
SCHEMBL599898 0.83 TSHR (0.48) TSHRPDE4DSCN9AAGTR2TAAR1
SCHEMBL10171833 0.82 TSHR (0.44) TSHRTAAR1LMNABCHEACHE
SCHEMBL598925 0.82 TSHR (0.44) TSHRTAAR1LMNABCHEACHE
SCHEMBL9418302 0.81 TSHR (0.47) TSHRPDE4DSCN9AAGTR2TAAR1
SCHEMBL22242702 0.80 TSHR (0.45) TSHRPDE4DSCN9AAGTR2TAAR1

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 8 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
CN-101115725-A 2' and 3' - substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation UNIV EMORY (US) 2008-01-30 CN 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 TSHR 3945/4885PDE4D 2012/4885SCN9A 4760/4885
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation HAVCR2, PNP, DCTD TSHR 3775/4885PDE4D 1615/4885SCN9A 4782/4885

“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.