SCHEMBL5560722

SCHEMBL5560722

CC(F)c1ccc(CC(N)C(=O)O)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 1/20 0.44
CYP1A2 P05177 1/20 0.43
HSD17B10 Q99714 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
SLC7A5 Q01650 4/20 0.40
PTGS1 P23219 2/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
XIAP P98170 1/20 0.40
GRIA2 P42262 2/20 0.38
GRIA1 P42261 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
CYP3A4 P08684 1/20 0.38
PTPRC P08575 1/20 0.38
KIF11 P52732 1/20 0.37
SLC1A3 P43003 1/20 0.37
GRB2 P62993 1/20 0.36
RECQL P46063 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
SCHEMBL12128833 0.78 CYP1A2 (0.47) TPH1CYP1A2HSD17B10SLC7A5PTGS1
SCHEMBL13957329 0.78 CYP1A2 (0.47) TPH1CYP1A2HSD17B10SLC7A5PTGS1
SCHEMBL5567186 0.78 CYP1A2 (0.46) TPH1CYP1A2HSD17B10SLC7A5PTGS1
SCHEMBL7205029 0.76 SLC7A5 (0.56) CYP1A2HSD17B10ESR1ESR2SLC7A5
SCHEMBL5283089 0.76 SLC7A5 (0.56) CYP1A2HSD17B10ESR1ESR2SLC7A5
SCHEMBL15360000 0.76 CYP1A2 (0.49) TPH1CYP1A2HSD17B10SLC7A5PTGS1
SCHEMBL6024170 0.76 SLC7A5 (0.61) TPH1CYP1A2HSD17B10ESR1SLC7A5
SCHEMBL18571041 0.76 SLC7A5 (0.47) TPH1CYP1A2HSD17B10SLC7A5PTGS1
SCHEMBL5565798 0.76 SLC7A5 (0.47) TPH1CYP1A2HSD17B10SLC7A5PTGS1
SCHEMBL13957328 0.76 SLC7A5 (0.47) TPH1CYP1A2HSD17B10SLC7A5PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189383-B2 Radioactively labelled amino acid analogues, their preparation and use MALLINCKRODT INC. 2007-03-13 US claimed
US-20060127306-A1 Radioactively labelled amino acid analogues, their preparation and use VRIJE UNIVERSITEIT BRUSSEL (BE) 2006-06-15 US claimed

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-20060127306-A1 Radioactively labelled amino acid analogues, their preparation and use BCAT1, BCAT2, SLC1A5 TPH1 424/4885CYP1A2 150/4885HSD17B10 2307/4885

“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.