SCHEMBL3857896

SCHEMBL3857896

CC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)COS(=O)(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.34
SMYD2 Q9NRG4 2/20 0.32
CYP3A4 P08684 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1I2 O75469 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL17839065 0.89 CA2 (0.33) CA2CA1SMYD2CYP3A4HTT
SCHEMBL17839117 0.89 CA2 (0.33) CA2CA1SMYD2CYP3A4HTT
SCHEMBL12501660 0.83 CA2 (0.38) CA2CA1SMYD2CYP3A4HTT
SCHEMBL26666151 0.81 CA2 (0.37) CA2CA1SMYD2CYP3A4HTT
SCHEMBL3857897 0.80 CYP3A4 (0.30) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL20601810 0.80 CYP3A4 (0.37) CA2CA1CYP3A4HTTSMN1; SMN2
SCHEMBL23227787 0.80 CA2 (0.36) CA2CA1SMYD2CYP3A4HTT
SCHEMBL1548093 0.80 CA2 (0.36) CA2CA1SMYD2CYP3A4HTT
SCHEMBL29235641 0.78 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL12534867 0.77 SMYD2 (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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016097072-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 WO disclosed
US-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
US-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
US-20060252729-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2006-11-09 US disclosed
EP-1656387-A2 NUCLEOBASE PHOSPHONATE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2006-05-17 EP disclosed
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2005-03-17 US disclosed
WO-2005012324-A2 NUCLEOBASE PHOSPHONATE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2005-02-10 WO 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-20060252729-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 CA2 3674/4885CA1 4359/4885SMYD2 1073/4885
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 CA2 3674/4885CA1 4359/4885SMYD2 1073/4885

“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.