SCHEMBL10171869

SCHEMBL10171869

CC(C)(C)[C@H]1C[C@@H](COCc2ccccc2)C1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
SCN9A Q15858 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
AGTR2 P50052 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL30580353 0.87 TSHR (0.47) TSHRTAAR1LMNABCHEACHE
SCHEMBL30580359 0.87 TSHR (0.47) TSHRTAAR1LMNABCHEACHE
SCHEMBL599983 0.80 TSHR (0.45) TSHRTAAR1LMNABCHEACHE
SCHEMBL599079 0.80 TSHR (0.45) TSHRTAAR1LMNABCHEACHE
SCHEMBL599977 0.80 TSHR (0.45) TSHRTAAR1LMNABCHEACHE
SCHEMBL600095 0.80 TSHR (0.45) TSHRTAAR1LMNABCHEACHE
SCHEMBL10171785 0.80 TSHR (0.45) TSHRTAAR1LMNABCHEACHE
SCHEMBL598925 0.78 TSHR (0.44) TSHRTAAR1LMNABCHEACHE
SCHEMBL10171833 0.78 TSHR (0.44) TSHRTAAR1LMNABCHEACHE
SCHEMBL30210778 0.75 TSHR (0.52) TSHRTAAR1LMNABCHEACHE

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.