SCHEMBL6727082

SCHEMBL6727082

COC(=O)c1c(O)ccnc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 4/20 0.40
CYP3A4 P08684 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.37
ACHE P22303 1/20 0.37
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
LCK P06239 1/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL27691501 0.84 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL27693260 0.84 HTT (0.43) CA12CA1CA2CA7CA9
SCHEMBL31214434 0.83 HTT (0.42) CA12CA1CA2CA7CA9
SCHEMBL1178516 0.83 HSD17B10 (0.42) CA12CA1CA2CA7CA9
SCHEMBL1178609 0.83 HSD17B10 (0.60) CA12CA1CA2CA7CA9
SCHEMBL31214397 0.83 HSD17B10 (0.42) CA12CA1CA2CA7CA9
SCHEMBL1641305 0.81 HTT (0.46) CA9HSD17B10HTTKDM4ECYP3A4
SCHEMBL31214453 0.81 HSD17B10 (0.41) CA12CA1CA2CA7CA9
SCHEMBL8362451 0.80 HTT (0.51) CA12CA1CA2CA7CA9
SCHEMBL6732295 0.78 HTT (0.39) CA12CA1CA2CA7CA9

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
WO-2018031680-A1 NOVEL COMPOUNDS, USES AND METHODS FOR THEIR PREPARATION FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2018-02-15 WO disclosed
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 CA12 4746/4885CA1 4455/4885CA2 4013/4885
US-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CA12 4784/4885CA1 4578/4885CA2 4094/4885

“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.