SCHEMBL6351480

SCHEMBL6351480

NC(=O)C(c1ccccc1)C(O)C(=O)NCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.43
BCAT2 O15382 1/20 0.42
TACR1 P25103 4/20 0.38
CYP2D6 P10635 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NAAA Q02083 2/20 0.37
EPHX1 P07099 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NOTCH1 P46531 1/20 0.36
NOTCH2 Q04721 1/20 0.36
NOTCH4 Q99466 1/20 0.36
NOTCH3 Q9UM47 1/20 0.36
CTSD P07339 1/20 0.36
BCHE P06276 1/20 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
SCHEMBL5666951 0.77 GLS (0.43) BACE1BCAT2TACR1CTSD
SCHEMBL6212590 0.77 KMT2A (0.46) BCAT2CYP2D6NAAAKMT2AMEN1
SCHEMBL6341887 0.77 HDAC1 (0.53) BCAT2CYP2D6EPHX1KMT2ACTSD
SCHEMBL8675411 0.77 HDAC1 (0.53) BCAT2CYP2D6EPHX1KMT2ACTSD
SCHEMBL6342212 0.75 LMNA (0.46) BCAT2CYP2D6SLC6A3NAAAKMT2A
SCHEMBL6344345 0.74 KMT2A (0.53) BCAT2CYP2D6NAAAKMT2ACTSD
SCHEMBL6341820 0.74 KMT2A (0.45) BCAT2CYP2D6NAAAEPHX1KMT2A
Hydrochloric Acid SCHEMBL21458020 0.73 LAP3 (0.60) BACE1
Hydrochloric Acid SCHEMBL4399599 0.73 LAP3 (0.60) BACE1
SCHEMBL10637975 0.72 ALDH1A1 (0.46) KMT2AMEN1

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
US-6846820-B2 For therapy of diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PFIZER INC. (US) 2005-01-25 US disclosed
US-20040006088-A1 For therapy of diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PFIZER INC. 2004-01-08 US disclosed
US-6649634-B2 Use in treating diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PFIZER, INC. 2003-11-18 US disclosed
US-20020028810-A1 Use in treating diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals HOOVER DENNIS J (US) 2002-03-07 US disclosed
US-6297269-B1 Substituted n-(indole-2-carbonyl-) amides and derivatives as glycogen phosphorylase inhibitors PFIZER INC. 2001-10-02 US disclosed
EP-0832066-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-09-12 EP 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-20020028810-A1 Use in treating diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PYGL, GPR119, PYGM BACE1 1356/4885BCAT2 357/4885TACR1 1639/4885
US-20040006088-A1 For therapy of diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PYGL, GPR119, PYGM BACE1 1412/4885BCAT2 290/4885TACR1 1523/4885

“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.