SCHEMBL3642811

SCHEMBL3642811

O=C(O)c1cc2ccc(NC(=O)C(F)(F)F)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 1/20 0.47
DAO P14920 1/20 0.47
SRD5A2 P31213 1/20 0.47
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 2/20 0.44
PDPK1 O15530 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
IDO1 P14902 4/20 0.44
TDO2 P48775 4/20 0.44
GPR35 Q9HC97 1/20 0.44

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
SCHEMBL3644048 0.89 KDM4E (0.55) KDM4EHPGDHSD17B10MAPTDAO
SCHEMBL3636947 0.86 MAPT (0.52) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL28578488 0.83 KDM4E (0.54) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL2048795 0.81 CYP1A2 (0.46) MAPTCYP2C19CYP1A2CYP2C9L3MBTL1
SCHEMBL8301399 0.81 SMN1; SMN2 (0.49) KDM4EHPGDMAPTCYP2C19CYP1A2
SCHEMBL3033200 0.81 EIF4A3 (0.55) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL29865102 0.81 EIF4A3 (0.55) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL3035898 0.77 LEF1 (0.49) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL30909340 0.75 HSD17B10 (0.51) EIF4A3KDM4EHPGDHSD17B10MAPT
SCHEMBL30909341 0.75 HSD17B10 (0.51) EIF4A3KDM4EHPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP disclosed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US disclosed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 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-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 EIF4A3 3270/4885KDM4E 3048/4885HPGD 176/4885

“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.