SCHEMBL243272

SCHEMBL243272

CC(C)(C)OC(=O)C(N)Cc1ccc(C#N)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
SLC7A5 Q01650 1/20 0.42
CACNA1H O95180 5/20 0.40
CTSS P25774 3/20 0.38
CTSK P43235 3/20 0.38
EGLN2 Q96KS0 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CTSD P07339 1/20 0.37
DAO P14920 1/20 0.36
KDM1A O60341 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
ACACB O00763 1/20 0.35
CTSB P07858 1/20 0.35

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
SCHEMBL240078 0.85 DAO (0.40) TRPA1CACNA1HTRPV4CYP11B1CYP11B2
SCHEMBL5106293 0.84 SLC7A5 (0.39) TRPA1SLC7A5CACNA1HCTSSCTSK
SCHEMBL21029611 0.82 SLC7A5 (0.45) SLC7A5
SCHEMBL31757439 0.81 TRPA1 (0.56) TRPA1CTSSCTSKCTSB
SCHEMBL19088473 0.81 SLC7A5 (0.44) SLC7A5
SCHEMBL30191722 0.81 SLC7A5 (0.44) SLC7A5
SCHEMBL29551946 0.81 SLC7A5 (0.44) SLC7A5
SCHEMBL18256468 0.81 SLC7A5 (0.44) SLC7A5
SCHEMBL13172117 0.81 TRPA1 (0.48) TRPA1CACNA1HEGLN2GPR119TRPV4
SCHEMBL2322118 0.80 SLC7A5 (0.53) SLC7A5TRPV4

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-8748412-B2 Phenylalanine derivatives and their use as non-peptide GLP-1 receptor modulators ARGUSINA BIOSCIENCE INC. (KY) 2014-06-10 US disclosed
EP-2531198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS Argusina Inc. (US) 2012-12-12 EP disclosed
US-20120004198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2012-01-05 US disclosed
WO-2011097300-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA, INC. (US) 2011-08-11 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-20120004198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, GPR119 TRPA1 1977/4885SLC7A5 515/4885CACNA1H 3999/4885

“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.