SCHEMBL3977902

SCHEMBL3977902

O=C(O)Cc1cccc(OBOc2cccc(CC(=O)O)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.50
PPARD Q03181 1/20 0.48
FFAR1 O14842 1/20 0.48
PLA2G4B P0C869 1/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.46
CTBP2 P56545 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS1 P23219 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RGS12 O14924 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL4516613 0.84 F10 (0.43) CTBP2KDM4E
SCHEMBL4619437 0.83 FFAR1 (0.55) AKR1B1PPARDFFAR1TDP1
SCHEMBL14825001 0.80 AKR1B1 (0.52) AKR1B1PPARDFFAR1PLA2G4BPTGDR2
SCHEMBL30278809 0.80 PLA2G4B (0.62) AKR1B1PPARDFFAR1PLA2G4BCYP4F2
SCHEMBL28629916 0.80 AKR1B1 (0.52) AKR1B1PPARDFFAR1PLA2G4BPTGDR2
SCHEMBL25081992 0.80 PLA2G4B (0.62) AKR1B1PPARDFFAR1PLA2G4BCYP4F2
SCHEMBL229067 0.80 PTGS1 (0.67) PTGDR2CTBP2CYP1A2PTGS1AKR1C3
SCHEMBL5576932 0.80 AKR1B1 (0.52) AKR1B1PPARDFFAR1PLA2G4BPTGDR2
SCHEMBL415441 0.80 FFAR1 (0.68) AKR1B1FFAR1PTGDR2AKR1C3TDP1
SCHEMBL29824310 0.80 PTGS1 (0.67) PTGDR2CTBP2CYP1A2PTGS1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 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-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 AKR1B1 589/4885PPARD 665/4885FFAR1 2095/4885

“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.