SCHEMBL1614850

SCHEMBL1614850

CC1(CN2C(=O)S/C(=C\c3cc(O)c(O)c(C(F)(F)F)c3)C2=O)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.54
PRKAA1 Q13131 1/20 0.54
PRKAB1 Q9Y478 1/20 0.54
SLC2A1 P11166 2/20 0.49
COMT P21964 1/20 0.45
AURKA O14965 1/20 0.45
MTOR P42345 1/20 0.45
AKR1B1 P15121 1/20 0.39
BAG3 O95817 1/20 0.39
PPARG P37231 1/20 0.38
CFTR P13569 1/20 0.37

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
SCHEMBL1614993 0.88 SLC2A1 (0.64) PRKAG1PRKAA1PRKAB1SLC2A1AURKA
SCHEMBL1614991 0.88 SLC2A1 (0.64) PRKAG1PRKAA1PRKAB1SLC2A1AURKA
SCHEMBL1613699 0.88 SLC2A1 (0.64) PRKAG1PRKAA1PRKAB1SLC2A1AURKA
SCHEMBL12712444 0.87 AURKA (0.51) PRKAG1PRKAA1PRKAB1SLC2A1COMT
SCHEMBL2174274 0.83 AURKA (0.53) PRKAG1PRKAA1PRKAB1SLC2A1COMT
SCHEMBL2174270 0.83 AURKA (0.53) PRKAG1PRKAA1PRKAB1SLC2A1COMT
SCHEMBL2172739 0.82 AURKA (0.48) PRKAG1PRKAA1PRKAB1COMTAURKA
SCHEMBL2172737 0.82 AURKA (0.48) PRKAG1PRKAA1PRKAB1COMTAURKA
SCHEMBL1614016 0.81 SLC2A1 (0.48) SLC2A1COMTAKR1B1BAG3PPARG
SCHEMBL1614013 0.81 SLC2A1 (0.48) SLC2A1COMTAKR1B1BAG3PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 US claimed
US-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 US disclosed
US-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 US disclosed
WO-2011044548-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 WO disclosed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 US disclosed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 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-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS PCK2, AK2, SIRT6 PRKAG1 25/4885PRKAA1 65/4885PRKAB1 53/4885

“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.