SCHEMBL6858321

SCHEMBL6858321

COc1ccc(-c2c(C(=O)OC(C)(C)C)n(S(=O)(=O)c3cccc(C(F)(F)F)c3)c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.57
HTR6 P50406 7/20 0.47
KCNQ1 P51787 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
RORC P51449 1/20 0.40

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
SCHEMBL6855291 0.89 PPARG (0.60) PPARGHTR6PPARDPPARARORC
SCHEMBL6956546 0.75 HTR6 (0.49) PPARGHTR6
SCHEMBL6958472 0.75 HTR6 (0.49) PPARGHTR6
SCHEMBL8197348 0.74 AGTR1 (0.55) HTR6
SCHEMBL6851244 0.73 PPARG (0.59) PPARGPPARA
SCHEMBL6958670 0.70 HTR6 (0.53) PPARGHTR6PPARARORC
SCHEMBL6952671 0.70 HTR6 (0.53) PPARGHTR6PPARDPPARARORC
SCHEMBL6858382 0.70 PPARG (0.76) PPARG
SCHEMBL6851224 0.69 PPARG (0.78) PPARG
SCHEMBL6857727 0.69 PPARG (0.72) PPARG

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-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US disclosed
EP-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 US disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 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 (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-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD PPARG 1/4885HTR6 73/4885KCNQ1 3114/4885

“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.