SCHEMBL4575393

SCHEMBL4575393

CC(C)c1ccc(N(CCc2cccc(OCC(=O)O)c2)Cc2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA4 P22748 5/20 0.40
CA9 Q16790 5/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.40
CETP P11597 2/20 0.40
ALDH1A1 P00352 1/20 0.39
PPARD Q03181 2/20 0.39
GAA P10253 1/20 0.39
PTGER2 P43116 1/20 0.39
CASR P41180 1/20 0.38
TRPM8 Q7Z2W7 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
SCHEMBL4575379 0.95 PTGDR2 (0.44) PPARGPPARAPTGDR2CETPALDH1A1
SCHEMBL4575057 0.89 PPARG (0.44) PPARGPPARACETPPPARDTRPM8
SCHEMBL14277961 0.88 PPARD (0.49) PPARGPPARAPPARD
SCHEMBL4575151 0.86 ALDH1A1 (0.44) PPARGPPARAALDH1A1PPARDGAA
SCHEMBL4575418 0.85 PPARG (0.46) PPARGPPARACETPPPARD
SCHEMBL4575605 0.83 PPARA (0.48) PPARGPPARAALDH1A1PPARDTRPM8
SCHEMBL4574670 0.82 CA12 (0.47) CA12CA1CA2CA4CA9
SCHEMBL4575888 0.82 PPARG (0.45) PPARGPPARACETPPPARD
SCHEMBL4575127 0.81 CETP (0.40) CETPALDH1A1TRPM8
SCHEMBL4574721 0.80 PPARA (0.39) PPARGPPARAALDH1A1PPARDTRPM8

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 10 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
EP-1090972-B1 Solvent-free two-component curable adhesive composition MITSUI TAKEDA CHEMICALS INC (JP) 2005-05-04 EP 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
US-6538095-B2 For laminating metal foil with a plastic film, prevention of leakage MITSUI TAKADA CHEMICALS INC. (JP) 2003-03-25 US disclosed
US-20020143133-A1 Solvent-free two-component curable adhesive composition IMAI AKIHIRO (JP) 2002-10-03 US disclosed
EP-1090972-A2 Solvent-free two-component curable adhesive composition Takeda Chemical Industries, Ltd. (JP) 2001-04-11 EP 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 CA12 4716/4885CA1 4355/4885CA2 3023/4885

“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.