SCHEMBL2820224

SCHEMBL2820224

CC(C)(Oc1ccc(C(=O)OCc2cn(Cc3ccc(SC(F)(F)F)cc3)nn2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
HSP90AB1 P08238 2/20 0.44
PPARA Q07869 4/20 0.41
PPARD Q03181 3/20 0.41
TBXAS1 P24557 2/20 0.40
CYP19A1 P11511 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARG P37231 2/20 0.38
APP P05067 1/20 0.38
MGAM O43451 1/20 0.38
KDM1A O60341 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
SCHEMBL2821397 0.91 PPARA (0.48) ALOX5HSP90AB1PPARAPPARDTBXAS1
SCHEMBL2820002 0.91 ALOX5 (0.41) ALOX5HSP90AB1CYP19A1POLBL3MBTL1
SCHEMBL2820647 0.89 ALOX5 (0.48) ALOX5HSP90AB1TBXAS1CYP19A1POLB
SCHEMBL2819127 0.89 ALOX5 (0.46) ALOX5HSP90AB1PPARAPPARDTBXAS1
SCHEMBL2818885 0.88 PPARA (0.50) ALOX5HSP90AB1PPARAPPARDTBXAS1
SCHEMBL2821752 0.88 CYP19A1 (0.51) ALOX5HSP90AB1PPARATBXAS1CYP19A1
SCHEMBL2821113 0.87 CYP19A1 (0.52) ALOX5HSP90AB1PPARAPPARDTBXAS1
SCHEMBL2821446 0.87 HSP90AB1 (0.53) ALOX5HSP90AB1CYP19A1POLBL3MBTL1
SCHEMBL2819363 0.86 HSP90AB1 (0.47) ALOX5HSP90AB1PPARAPPARDTBXAS1
SCHEMBL2819219 0.84 HSP90AB1 (0.43) ALOX5HSP90AB1PPARAPPARDTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US claimed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO claimed
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US disclosed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG ALOX5 570/4885HSP90AB1 937/4885PPARA 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.