SCHEMBL13377472

SCHEMBL13377472

CC(C)(C)N(CC(=O)O)Cc1nccn1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 9/20 0.40
▸ ALPG P10696 2/20 0.35
▸ PLAA Q9Y263 1/20 0.35
▸ ALPL P05186 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL11930719 0.93 FPR2 (0.42) FPR2ALPGPLAAALPLSMN1; SMN2
SCHEMBL11930718 0.85 ALPG (0.33) FPR2ALPGPLAAALPLSMN1; SMN2
SCHEMBL11930702 0.83 ALPG (0.35) FPR2ALPGPLAAALPLCA12
SCHEMBL13377414 0.83 FDPS (0.42) SMN1; SMN2MEN1KMT2A
SCHEMBL11930712 0.81 ALPG (0.37) FPR2ALPGPLAAALPLCA12
SCHEMBL22966386 0.81 FPR2 (0.40) FPR2ALPGPLAAALPLSMN1; SMN2
SCHEMBL10292434 0.79 FPR2 (0.45) FPR2ALPGPLAAALPLSMN1; SMN2
SCHEMBL11930753 0.79 FPR2 (0.40) FPR2ALPGPLAAALPLCA12
SCHEMBL13382315 0.79 FPR2 (0.41) FPR2ALPGPLAAALPLSMN1; SMN2
SCHEMBL11930749 0.77 FPR2 (0.42) FPR2ALPGPLAAALPLCA12

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-20100098633-A1 SELECTIVE SEPRASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-04-22 — — 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-20100098633-A1 SELECTIVE SEPRASE INHIBITORS SLC6A7, DNPEP, PREP FPR2 3813/4885ALPG 2197/4885PLAA 1385/4885

“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.

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