SCHEMBL2823969

SCHEMBL2823969

CCCc1nn(Cc2ccc(C(F)(F)F)cc2)cc1COC(=O)c1ccc(SC(C)(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
MAOB P27338 2/20 0.34
THRB P10828 1/20 0.34
RXRA P19793 4/20 0.33
NR1H2 P55055 4/20 0.33
AGTR1 P30556 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KLKB1 P03952 1/20 0.32
NR1H3 Q13133 2/20 0.32
DGAT1 O75907 1/20 0.32
MAPT P10636 1/20 0.31
ALKBH5 Q6P6C2 2/20 0.31
MRGPRX4 Q96LA9 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
SCHEMBL2823043 0.91 PTGER4 (0.38) PTGER4PTGDR2MAOBTHRBAGTR1
SCHEMBL2821679 0.81 HDAC1 (0.43) THRBHDAC1
SCHEMBL2821982 0.80 PPARA (0.47) PTGER4
SCHEMBL2821326 0.74 ALOX5 (0.44)
SCHEMBL2825948 0.74 HDAC1 (0.44) HDAC1
SCHEMBL2821447 0.74 GCGR (0.36) MAOBMAPTALKBH5
SCHEMBL2821921 0.73 THRB (0.42) MAOBTHRBMAPT
SCHEMBL2822468 0.73 ALOX5 (0.40) HDAC1
SCHEMBL2821989 0.72 TBXAS1 (0.40) KLKB1DGAT1
SCHEMBL2820612 0.72 ALOX5 (0.42)

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 1 patent. 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 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 PTGER4 72/4885PTGDR2 338/4885MAOB 2981/4885

“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.