SCHEMBL4170559

SCHEMBL4170559

N[C@@H](Cc1c[nH]cn1)C(=O)C([O])[O]

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
SLC7A5 Q01650 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL12825059 0.85 CYP3A4 (0.31) CYP3A4SLC7A5CYP1A2
SCHEMBL12825056 0.85 CYP3A4 (0.31) CYP3A4SLC7A5CYP1A2
SCHEMBL10240652 0.85 CYP3A4 (0.31) CYP3A4SLC7A5CYP1A2
Histidine SCHEMBL27446195 0.85 SLC7A5 (0.46) CYP3A4SLC7A5CYP1A2
Histidine SCHEMBL3258 0.83 SLC7A5 (0.47) CYP3A4SLC7A5CYP1A2
Histidine SCHEMBL3259 0.83 SLC7A5 (0.47) CYP3A4SLC7A5CYP1A2
Histidine SCHEMBL8080341 0.83 SLC7A5 (0.47) CYP3A4SLC7A5CYP1A2
Histidine SCHEMBL388563 0.83 SLC7A5 (0.47) CYP3A4SLC7A5CYP1A2
Histidine SCHEMBL163442 0.83 SLC7A5 (0.47) CYP3A4SLC7A5CYP1A2
Histidine SCHEMBL18824897 0.83 SLC7A5 (0.47) CYP3A4SLC7A5CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US 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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES CYP3A4 1894/4885SLC7A5 4058/4885CYP1A2 3531/4885

“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.