SCHEMBL3280430

SCHEMBL3280430

CN(C)C(=O)OC(C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.31

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
SCHEMBL6129127 0.81 F2 (0.32) THRB
SCHEMBL3283244 0.81 THRB (0.31) THRB
SCHEMBL2508311 0.78 ALDH1A1 (0.31)
SCHEMBL5857962 0.78 ALDH1A1 (0.31)
SCHEMBL3285319 0.75 MEN1 (0.33)
SCHEMBL7643011 0.68 LMNA (0.42) THRB
SCHEMBL7641162 0.68 LMNA (0.42) THRB
SCHEMBL5858721 0.68 ALDH1A1 (0.31)
SCHEMBL3279169 0.68 THRB (0.31) THRB
SCHEMBL2513861 0.68 ALDH1A1 (0.48) THRB

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-7700794-B2 Fluorous tagging compounds and methods of increasing the fluorous nature of compounds UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-04-20 US disclosed
US-20050096478-A1 Fluorous tagging compounds and methods of increasing the fluorous nature of compounds UNIVERSITY OF PITTSBURGH 2005-05-05 US disclosed
US-6825043-B1 FOR DRUG SCREENING/CATALYST DESIGN UNIVERSITY OF PITTSBURGH 2004-11-30 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-20050096478-A1 Fluorous tagging compounds and methods of increasing the fluorous nature of compounds AFF1, AFF2, AFF4 THRB 2500/4885

“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.