SCHEMBL599239

SCHEMBL599239

O=C1CC(F)(COCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
TACR1 P25103 4/20 0.43
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SLC6A4 P31645 1/20 0.36
IDO1 P14902 1/20 0.35
HTT P42858 1/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL28306256 0.82 TSHR (0.54) TSHRTACR1SLC6A4IDO1
SCHEMBL2221074 0.77 TSHR (0.48) TSHRTACR1MMP2MMP3MMP9
SCHEMBL12525137 0.77 TSHR (0.44) TSHRTACR1MMP2MMP3MMP9
SCHEMBL13414624 0.76 ALDH1A1 (0.47) TSHRTACR1MMP2MMP3MMP9
SCHEMBL9565491 0.75 TSHR (0.45) TSHRTACR1
SCHEMBL9565489 0.75 TSHR (0.45) TSHRTACR1
SCHEMBL13414639 0.73 ALDH1A1 (0.42) TSHRTACR1MMP2MMP3MMP9
SCHEMBL17611854 0.72 TSHR (0.47) TSHRTACR1MMP2MMP3MMP9
SCHEMBL9565500 0.72 LMNA (0.42) TSHRTACR1MMP2MMP3MMP9
SCHEMBL9565503 0.72 LMNA (0.42) TSHRTACR1MMP2MMP3MMP9

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 5 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
EP-0554025-A2 Fluorinated cyclobutyl purines and pyrimidines E.R. SQUIBB & SONS, INC. (US) 1993-08-04 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 3945/4885TACR1 3787/4885MMP2 2988/4885
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation HAVCR2, PNP, DCTD TSHR 3775/4885TACR1 3445/4885MMP2 3221/4885

“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.