SCHEMBL4575675

SCHEMBL4575675

COc1ccccc1-c1csc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.48
PPARD Q03181 10/20 0.47
PPARG P37231 6/20 0.47
GCGR P47871 2/20 0.45
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GIPR P48546 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GSTO1 P78417 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
SCHEMBL4575243 0.91 PPARA (0.48) PPARAPPARDPPARGGCGRMAPT
SCHEMBL4575434 0.90 PPARA (0.49) PPARAPPARDPPARGGCGRGIPR
SCHEMBL4575204 0.85 PPARA (0.51) PPARAPPARDPPARGGCGRMAPT
SCHEMBL4574610 0.85 PPARA (0.56) PPARAPPARDPPARGGCGRGIPR
SCHEMBL4575711 0.83 PPARA (0.55) PPARAPPARDPPARG
SCHEMBL4575381 0.83 PPARA (0.54) PPARAPPARDPPARGGCGRMAPT
SCHEMBL4575735 0.83 PPARA (0.42) PPARAPPARDPPARGGCGRGIPR
SCHEMBL4575414 0.82 PPARA (0.49) PPARAPPARDPPARGGCGRMAPT
SCHEMBL4575565 0.82 PPARA (0.53) PPARAPPARDPPARGGCGRGIPR
SCHEMBL4575833 0.82 PPARA (0.53) PPARAPPARDPPARGGCGRGIPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
US-6838459-B1 7-alkyl-and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-01-04 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD PPARA 2/4885PPARD 3/4885PPARG 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.