SCHEMBL2463948

SCHEMBL2463948

Cc1cc(C(=O)C=Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.41
CYP1B1 Q16678 6/20 0.41
CXCL12 P48061 1/20 0.41
PPARD Q03181 7/20 0.39
PPARA Q07869 6/20 0.39
PPARG P37231 5/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
P4HB P07237 1/20 0.38
DPP4 P27487 1/20 0.37
FFAR1 O14842 2/20 0.37

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
SCHEMBL4321073 0.87 PPARD (0.53) CYP1A1CYP1B1PPARDPPARAPPARG
SCHEMBL4321078 0.87 PPARD (0.53) CYP1A1CYP1B1PPARDPPARAPPARG
SCHEMBL28868239 0.87 PPARD (0.39) CYP1A1CYP1B1PPARDPPARAPPARG
SCHEMBL30003645 0.85 PPARD (0.45) PPARDPPARAPPARG
SCHEMBL1765829 0.84 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL12648504 0.84 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL12732422 0.84 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL2463761 0.84 PPARA (0.54) PPARDPPARAPPARG
SCHEMBL2464436 0.84 PPARD (0.45) PPARDPPARAPPARG
SCHEMBL12648327 0.84 PPARA (0.54) PPARDPPARAPPARG

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 CYP1A1 308/4885CYP1B1 574/4885CXCL12 2617/4885
US-20080009631-A1 Activator for peroxisome proliferator-activated receptor delta PPARG, PPARD, PPARA CYP1A1 352/4885CYP1B1 616/4885CXCL12 2584/4885
US-20050054674-A1 Activator of peroxisome proliferator-activated receptor PPARG, PPARD, PPARA CYP1A1 368/4885CYP1B1 716/4885CXCL12 2539/4885

“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.