SCHEMBL6856352

SCHEMBL6856352

CCOC(=O)c1c(C2=NC(C)(C)CO2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.46
MAPT P10636 3/20 0.42
MAPK10 P53779 1/20 0.42
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
F10 P00742 1/20 0.38
GRM5 P41594 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6858322 0.90 PPARG (0.44) PPARGMAPTMAPK10ALDH1A1SMN1; SMN2
SCHEMBL6858320 0.80 PPARG (0.49) PPARGMAPTMAPK10ALDH1A1SMN1; SMN2
SCHEMBL6857727 0.78 PPARG (0.72) PPARGMAPTMAPK10SMN1; SMN2TP53
SCHEMBL6856346 0.78 PPARG (0.46) PPARGMAPTMAPK10ALDH1A1CACNA1B
SCHEMBL6856138 0.77 MAPT (0.51) PPARGMAPTMAPK10F10LMNA
SCHEMBL6851392 0.77 MEN1 (0.63) PPARGMAPTMAPK10ALDH1A1SMN1; SMN2
SCHEMBL7108319 0.76 PPARG (0.46) PPARGMAPTMAPK10GRM5LMNA
SCHEMBL7110249 0.76 PPARG (0.53) PPARGMAPTMAPK10ALDH1A1SMN1; SMN2
SCHEMBL6851282 0.75 ALDH1A1 (0.48) PPARGMAPTMAPK10ALDH1A1SMN1; SMN2
SCHEMBL6857667 0.75 MEN1 (0.49) PPARGMAPTMAPK10ALDH1A1SMN1; 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 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 1/4885MAPT 3447/4885MAPK10 1496/4885

“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.