SCHEMBL2493984

SCHEMBL2493984

CC(=O)OC(C)Oc1ccc(C(=O)CCc2nc(-c3ccccc3C(F)(F)F)sc2C(C)C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.36
WNT3A P56704 5/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 2/20 0.33
S1PR1 P21453 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CTNNB1 P35222 4/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
CRHR1 P34998 1/20 0.32
ACHE P22303 1/20 0.31
CTSK P43235 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL1765923 0.85 PPARD (0.44) PPARDPPARAFFAR1FFAR4
SCHEMBL2463771 0.85 PPARD (0.44) CTSAWNT3APPARDPPARA
SCHEMBL4754236 0.83 CTSA (0.34) CTSAWNT3APPARDPPARAS1PR1
SCHEMBL2463785 0.82 PPARD (0.38) CTSAWNT3APPARDPPARAS1PR1
SCHEMBL4754172 0.76 CRHR1 (0.34) CTSAWNT3APPARDPPARAS1PR1
SCHEMBL2465182 0.76 PPARD (0.47) CTSAWNT3APPARDPPARAS1PR1
SCHEMBL2466105 0.76 PPARD (0.37) CTSAWNT3APPARDPPARAS1PR1
SCHEMBL2464421 0.76 PPARD (0.45) CTSAWNT3APPARDPPARAS1PR1
SCHEMBL2467481 0.75 PPARD (0.38) CTSAWNT3APPARDPPARAS1PR1
SCHEMBL2493983 0.74 PPARD (0.46) PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1424330-B1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-RESPONSIVE RECEPTOR DELTA NIPPON CHEMIPHAR CO (JP) 2011-09-28 EP disclosed
US-7652045-B2 e.g. [[7-Allyl-3-[2-[2-(2,4-dichlorophenyl)-5-isopropyl-4-oxazolyl]ethyl]-1,2-benzisoxazol-6-yl]oxy]acetic acid; with vehicles (lactose, D-mannitol, glucose), disintegrators (starch or carboxymethylcellulose calcium ), binders (hydroxypropylcellulose) and lubricants (magnesium stearate or talc) NIPPON CHEMIPHAR, CO., LTD. (JP) 2010-01-26 US disclosed
US-7648999-B2 Activator for peroxisome proliferator-activated receptor δ NIPPON CHEMIPHAR CO., LTD. (JP) 2010-01-19 US disclosed
US-20080009525-A1 Activator of peroxisome proliferator-activated receptor delta SAKUMA SHOGO 2008-01-10 US disclosed
US-20080009631-A1 Activator for peroxisome proliferator-activated receptor delta SAKUMA SHOGO 2008-01-10 US disclosed
US-7265137-B2 Activator of peroxisome proliferator-activated re-ceptor δ NIPPON CHEMIPHAR CO., LTD. (JP) 2007-09-04 US disclosed
US-20050054674-A1 Activator of peroxisome proliferator-activated receptor NIPPON CHEMIPHAR CO., LTD. (JP) 2005-03-10 US disclosed
EP-1424330-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-RESPONSIVE RECEPTOR DELTA NIPPON CHEMIPHAR CO., LTD. (JP) 2004-06-02 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 (3 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-20080009525-A1 Activator of peroxisome proliferator-activated receptor delta PPARG, PPARD, PPARA CTSA 3070/4885WNT3A 1323/4885PPARD 2/4885
US-20080009631-A1 Activator for peroxisome proliferator-activated receptor delta PPARG, PPARD, PPARA CTSA 3006/4885WNT3A 1313/4885PPARD 2/4885
US-20050054674-A1 Activator of peroxisome proliferator-activated receptor PPARG, PPARD, PPARA CTSA 2903/4885WNT3A 1684/4885PPARD 2/4885

“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.