SCHEMBL6769409

SCHEMBL6769409

O=C(O)[C@H](Cc1ccc(O)cc1)NCC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.56
FOLH1 Q04609 1/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.50
SLC7A5 Q01650 1/20 0.47
MME P08473 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45

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
SCHEMBL6770155 0.87 ACE (0.54) ACENAALAD2MMECPA1
SCHEMBL1081372 0.82 FOLH1 (0.54) ACEFOLH1NAALAD2SLC7A5MME
SCHEMBL31533361 0.82 FOLH1 (0.54) ACEFOLH1NAALAD2SLC7A5MME
SCHEMBL1081373 0.82 FOLH1 (0.54) ACEFOLH1NAALAD2SLC7A5MME
SCHEMBL31533362 0.82 FOLH1 (0.54) ACEFOLH1NAALAD2SLC7A5MME
SCHEMBL8823272 0.81 ACE (0.58) ACEFOLH1NAALAD2SLC7A5MME
SCHEMBL8823270 0.81 ACE (0.58) ACEFOLH1NAALAD2SLC7A5MME
SCHEMBL10778599 0.80 FOLH1 (0.55) ACEFOLH1NAALAD2SLC7A5MME
SCHEMBL8414223 0.80 FOLH1 (0.55) ACEFOLH1NAALAD2SLC7A5MME
SCHEMBL148423 0.80 FOLH1 (0.55) ACEFOLH1NAALAD2SLC7A5MME

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-6794492-B2 N-(2,2,2-TRIFLUOROETHYL)GLYCINE DERIVATIVES; CAN BE USED TO PREPARE LIPOPHILIC PROTEINS ADAPTED FOR CROSSING THE BLOOD BRAIN BARRIER CLEMSON UNIVERSITY 2004-09-21 US claimed
US-20190055279-A1 NOVEL POLYPEPTIDES WITH IMPROVED PROTEOLYTIC STABILITY, AND METHODS OF PREPARING AND USING SAME TUFTS UNIVERSITY (US) 2019-02-21 US disclosed
WO-2017075522-A2 GLP-2 POLYPEPTIDES WITH IMPROVED PROTEOLYTIC STABILITY, AND METHODS OF PREPARING AND USING SAME TUFTS UNIVERSITY (US) 2017-05-04 WO disclosed
WO-2017075505-A2 NOVEL POLYPEPTIDES WITH IMPROVED PROTEOLYTIC STABILITY, AND METHODS OF PREPARING AND USING SAME TUFTS UNIVERSITY (US) 2017-05-04 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-20190055279-A1 NOVEL POLYPEPTIDES WITH IMPROVED PROTEOLYTIC STABILITY, AND METHODS OF PREPARING AND USING SAME PTMS, ANPEP, DNPEP ACE 441/4885FOLH1 211/4885NAALAD2 121/4885

“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.