SCHEMBL6731339

SCHEMBL6731339

CCOC(=O)c1cc(C(=O)OCC)c(C(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
IDO1 P14902 1/20 0.61
NPSR1 Q6W5P4 1/20 0.60
MAPT P10636 2/20 0.54
ALDH1A1 P00352 6/20 0.53
NFKB1 P19838 3/20 0.48
JUN P05412 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATF1 P18846 1/20 0.46
P2RY12 Q9H244 2/20 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
SCHEMBL9726305 0.83 KDM4E (0.52) KDM4EIDO1NPSR1MAPTALDH1A1
SCHEMBL27485780 0.82 KDM4E (0.60) KDM4EIDO1NPSR1MAPTALDH1A1
SCHEMBL29076976 0.82 KDM4E (0.57) KDM4EIDO1NPSR1MAPTALDH1A1
SCHEMBL16969103 0.82 IDO1 (0.61) KDM4EIDO1NPSR1MAPTALDH1A1
SCHEMBL6377043 0.82 KDM4E (0.59) KDM4EIDO1NPSR1MAPTALDH1A1
SCHEMBL125663 0.81 KDM4E (0.53) KDM4EIDO1NPSR1MAPTALDH1A1
SCHEMBL29076975 0.81 KDM4E (0.59) KDM4EIDO1NPSR1MAPTALDH1A1
SCHEMBL18149813 0.81 KDM4E (0.58) KDM4EIDO1NPSR1MAPTALDH1A1
SCHEMBL2119119 0.81 KDM4E (0.74) KDM4EIDO1NPSR1MAPTALDH1A1
SCHEMBL5077233 0.81 KDM4E (0.58) KDM4EIDO1NPSR1MAPTALDH1A1

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-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity LEE LEN F (US) 2004-11-04 US disclosed
US-6794396-B2 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity PHARMACIA CORPORATION 2004-09-21 US disclosed
US-20040038939-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity PHARMACIA CORPORATION 2004-02-26 US disclosed
US-6605624-B1 Preventing and/or treating atherosclerosis and other coronary artery diseases PHARMACIA CORPORATION 2003-08-12 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 (2 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-20040038939-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, CES1, MTTP KDM4E 1991/4885IDO1 3688/4885NPSR1 4171/4885
US-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT KDM4E 1743/4885IDO1 4075/4885NPSR1 4122/4885

“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.