SCHEMBL5791990

SCHEMBL5791990

CCOP(=O)(CCOS(=O)(=O)C(F)(F)F)OCC

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.42
TSHR P16473 2/20 0.39
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL13541270 0.85 CYP3A4 (0.41) TSHRCA1CA2
SCHEMBL282279 0.81 TSHR (0.41) PPARDTSHRCA2TP53TDP1
SCHEMBL5029426 0.81 CA2 (0.36) CA1CA2
SCHEMBL281841 0.77 TSHR (0.52) PPARDTSHR
SCHEMBL11688723 0.77 PPARD (0.48) PPARDTSHRCA1CA2TP53
SCHEMBL12746726 0.77 CA2 (0.38) CA1CA2
SCHEMBL16160739 0.76 PPARD (0.52) PPARDTSHRCA1CA2TP53
SCHEMBL13538258 0.74 TSHR (0.44) TSHRCA1CA2
SCHEMBL11031856 0.73 CA2 (0.38) CA1CA2
SCHEMBL12150262 0.73 TSHR (0.33) TSHRCA2TP53TDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7427624-B2 Purine nucleoside phosphorylase inhibitory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-09-23 US disclosed
US-20070027113-A1 Purine nucleoside phosphorylase inhibitory phosphonate compounds GILEAD SCIENCES, INC. 2007-02-01 US disclosed
EP-1617848-A2 ANTI-CANCER PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-01-25 EP disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 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 (4 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-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG PPARD 664/4885TSHR 4615/4885CA1 3251/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES PPARD 197/4885TSHR 4758/4885CA1 1440/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN PPARD 1752/4885TSHR 4311/4885CA1 1874/4885
US-20070027113-A1 Purine nucleoside phosphorylase inhibitory phosphonate compounds PNP, TYMP, MTAP PPARD 2407/4885TSHR 4517/4885CA1 3186/4885

“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.