SCHEMBL18822326

SCHEMBL18822326

N[C@@H](Cc1cncn1CC(F)(F)F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.46
NOS1 P29475 3/20 0.40
SLC7A5 Q01650 3/20 0.40
CYP3A4 P08684 1/20 0.40
PTPN1 P18031 2/20 0.39
GRB2 P62993 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
ACE2 Q9BYF1 4/20 0.34
ACE P12821 3/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL5795113 0.84 SLC1A3 (0.49) SLC1A3NOS1SLC7A5CYP3A4GRIA1
SCHEMBL10769499 0.84 SLC1A3 (0.49) SLC1A3NOS1SLC7A5CYP3A4GRIA1
SCHEMBL8932777 0.84 SLC1A3 (0.49) SLC1A3NOS1SLC7A5CYP3A4GRIA1
SCHEMBL18822339 0.79 ACE2 (0.41) ACE2ACE
SCHEMBL10397323 0.78 SLC1A3 (0.47) SLC1A3NOS1SLC7A5CYP3A4GRIA1
SCHEMBL10397324 0.78 SLC1A3 (0.47) SLC1A3NOS1SLC7A5CYP3A4GRIA1
SCHEMBL743804 0.77 SLC1A3 (0.58) SLC1A3NOS1SLC7A5CYP3A4GRIA1
SCHEMBL743805 0.77 SLC1A3 (0.58) SLC1A3NOS1SLC7A5CYP3A4GRIA1
SCHEMBL10398089 0.76 SLC1A3 (0.44) SLC1A3NOS1SLC7A5CYP3A4GRIA1
SCHEMBL10397191 0.76 CYP11B1 (0.55) SLC1A3NOS1SLC7A5HSD17B10ALPI

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2017075505-A2 NOVEL POLYPEPTIDES WITH IMPROVED PROTEOLYTIC STABILITY, AND METHODS OF PREPARING AND USING SAME TUFTS UNIVERSITY (US) 2017-05-04 WO 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

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 SLC1A3 2929/4885NOS1 3473/4885SLC7A5 1990/4885

“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.