SCHEMBL6499991

SCHEMBL6499991

CCOC(=O)C(C)(C)Oc1ccc2c(ccn2Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.53
PPARD Q03181 15/20 0.53
PPARG P37231 9/20 0.53
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
FFAR1 O14842 2/20 0.44

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
SCHEMBL6486158 0.93 PPARD (0.53) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL6488056 0.92 PPARA (0.56) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL6495872 0.91 PPARA (0.65) PPARAPPARDPPARGFFAR1
SCHEMBL6487960 0.84 PPARA (0.65) PPARAPPARDPPARGFFAR1
SCHEMBL6487449 0.83 PPARD (0.62) PPARAPPARDPPARGFFAR1
SCHEMBL6484346 0.83 PPARA (0.68) PPARAPPARDPPARGFFAR1
SCHEMBL6497348 0.82 FFAR1 (0.53) PPARAPPARDPPARGFFAR1
SCHEMBL13334366 0.81 PPARD (0.51) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL6500025 0.80 NR1H4 (0.51) PPARAPPARDPPARGMAPTFFAR1
SCHEMBL5781925 0.80 PPARG (0.60) PPARAPPARDPPARGKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203151-A1 Novel compounds, compositions and uses thereof for treatment of metabolic disorders and related conditions KALYPSYS, INC. (US) 2005-09-15 US disclosed
WO-2005060958-A1 (5- (2-PHENYL)-THIAZOL-5-YLMETHOXY)-INDOL-1-YL) -ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE HUMAN PPAR-DELTA RECEPTOR FOR THE TREATMENT OF METABOLIC DISORDERS SUCH AS TYPE 2 DIABETES KALYPSYS, INC. (US) 2005-07-07 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-20050203151-A1 Novel compounds, compositions and uses thereof for treatment of metabolic disorders and related conditions PPARG, PPARD, PPARA PPARA 3/4885PPARD 2/4885PPARG 1/4885

“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.