SCHEMBL599504

SCHEMBL599504

CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1CC(=O)C1(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.35
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL599979 0.77 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL29525226 0.71 CYP3A4 (0.33) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL10945494 0.71 FAAH (0.44) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL599505 0.71 SMYD2 (0.49) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL10172041 0.71 SMYD2 (0.49) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL31059733 0.70 CYP2C9 (0.37) CYP3A4SMN1; SMN2
SCHEMBL17904286 0.69 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL17904279 0.69 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL7354376 0.69 CYP3A4 (0.33) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL599854 0.69 CYP3A4 (0.33) SMYD2CYP3A4HTTSMN1; SMN2

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 SMYD2 2969/4885CYP3A4 728/4885HTT 3048/4885
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation HAVCR2, PNP, DCTD SMYD2 3065/4885CYP3A4 677/4885HTT 2905/4885

“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.