SCHEMBL599898

SCHEMBL599898

OC1CC(COCc2ccccc2)C1O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
AGTR2 P50052 1/20 0.45
PDE4D Q08499 1/20 0.44
GBA1 P04062 4/20 0.44
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 1/20 0.42
MTAP Q13126 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
UGCG Q16739 2/20 0.41
GBA2 Q9HCG7 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
SCN9A Q15858 2/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL10171946 1.00 TSHR (0.48) TSHRAGTR2PDE4DGBA1TAAR1
SCHEMBL9418302 0.84 TSHR (0.47) TSHRAGTR2PDE4DTAAR1LMNA
SCHEMBL599983 0.83 TSHR (0.45) TSHRAGTR2PDE4DTAAR1LMNA
SCHEMBL10171785 0.83 TSHR (0.45) TSHRAGTR2PDE4DTAAR1LMNA
SCHEMBL22242702 0.83 TSHR (0.45) TSHRAGTR2PDE4DTAAR1LMNA
SCHEMBL599977 0.83 TSHR (0.45) TSHRAGTR2PDE4DTAAR1LMNA
SCHEMBL600095 0.83 TSHR (0.45) TSHRAGTR2PDE4DTAAR1LMNA
SCHEMBL599079 0.83 TSHR (0.45) TSHRAGTR2PDE4DTAAR1LMNA
SCHEMBL24815520 0.82 TSHR (0.48) TSHRAGTR2PDE4DGBA1TAAR1
SCHEMBL24007625 0.82 TSHR (0.48) TSHRAGTR2PDE4DGBA1TAAR1

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
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
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
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

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 3945/4885AGTR2 3862/4885PDE4D 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 TSHR 3775/4885AGTR2 3787/4885PDE4D 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.