SCHEMBL600300

SCHEMBL600300

C1=CC(COCc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
TAAR1 Q96RJ0 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
IDO1 P14902 1/20 0.39
NAAA Q02083 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
AGXT P21549 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL28226067 0.90 TSHR (0.45) TSHRTAAR1LMNAPOLBHTT
SCHEMBL28226065 0.90 TSHR (0.45) TSHRTAAR1LMNAPOLBHTT
SCHEMBL11840000 0.90 TSHR (0.45) TSHRTAAR1LMNAPOLBHTT
SCHEMBL6294199 0.88 TSHR (0.56) TSHRTAAR1LMNAPOLBHTT
SCHEMBL15865737 0.80 TSHR (0.47) TSHRTAAR1LMNAPOLBHTT
SCHEMBL9416284 0.80 TSHR (0.47) TSHRTAAR1LMNAPOLBHTT
SCHEMBL865302 0.79 TSHR (0.45) TSHRTAAR1LMNAPOLBHTT
SCHEMBL2512922 0.79 TSHR (0.45) TSHRTAAR1LMNAPOLBHTT
SCHEMBL2512920 0.79 TSHR (0.45) TSHRTAAR1LMNAPOLBHTT
SCHEMBL880157 0.78 TSHR (0.54) TSHRTAAR1LMNAPOLBHTT

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 14 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
CN-1032205-C Purinyl and pyrimidinyl cyclo-butanes SQUIBB & SONS INC (US) 1996-07-03 CN disclosed
EP-0322854-B1 Purinyl cyclobutanes SQUIBB & SONS INC (US) 1994-07-13 EP disclosed
US-4918075-A Purinyl and pyrimidinyl cyclobutanes and their use as antiviral agents E. R. SQUIBB & SONS, INC. (US) 1990-04-17 US disclosed
CN-1036574-A Purine radicals and cyclobutane pyrimidine base SQUIBB & SONS INC (US) 1989-10-25 CN disclosed
US-4855466-A Purinyl cyclobutanes E. R. SQUIBB & SONS, INC. (US) 1989-08-08 US disclosed
EP-0322854-A1 Purinyl cyclobutanes E.R. Squibb & Sons, Inc. (US) 1989-07-05 EP 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 3945/4885TAAR1 4000/4885LMNA 2156/4885
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation HAVCR2, PNP, DCTD TSHR 3775/4885TAAR1 3912/4885LMNA 2607/4885

“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.