SCHEMBL6735375

SCHEMBL6735375

COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)OC)c1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
HPGD P15428 5/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
CISD2 Q8N5K1 1/20 0.32
MAPT P10636 1/20 0.31
KDM4E B2RXH2 4/20 0.31
CYP3A4 P08684 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PLAT P00750 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CFTR P13569 1/20 0.30

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
SCHEMBL9726339 0.92 KDM4E (0.40) ALDH1A1HPGDNPSR1PKMMAPT
SCHEMBL27370826 0.87 ALDH1A1 (0.36) ALDH1A1HPGDGAANPC1PKM
SCHEMBL10373401 0.81 MEN1 (0.33) NPSR1NPC1PKMMEN1KMT2A
SCHEMBL10371231 0.81 MEN1 (0.33) NPSR1NPC1PKMMEN1KMT2A
SCHEMBL10561410 0.80 MEN1 (0.33) GAANPC1PKMKDM4EMEN1
SCHEMBL9726392 0.80 GCGR (0.32) CFTR
SCHEMBL10371573 0.80 CFTR (0.33) ALDH1A1HPGDGAANPC1PKM
SCHEMBL9726396 0.79 GCGR (0.32)
SCHEMBL8693608 0.79 GCGR (0.34)
SCHEMBL6727164 0.79 KDM4E (0.38) ALDH1A1HPGDNPSR1PKMMAPT

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 5 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
WO-1999041237-A1 SUBSTITUTED PYRIDINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY G.D. SEARLE & CO. (US) 1999-08-19 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 (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 ALDH1A1 1154/4885HPGD 2470/4885GAA 1749/4885
US-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT ALDH1A1 1364/4885HPGD 2389/4885GAA 1801/4885

“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.