SCHEMBL16297957

SCHEMBL16297957

C[C@H](C=O)Cc1cscn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 9/20 0.41
▸ TSHR P16473 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CAPN1 P07384 1/20 0.34
▸ DPP4 P27487 2/20 0.33
▸ DPP8 Q6V1X1 2/20 0.33
▸ DPP9 Q86TI2 2/20 0.33
▸ GPR142 Q7Z601 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ FOLH1 Q04609 1/20 0.32
▸ CTSK P43235 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
SCHEMBL154473 0.78 — —
SCHEMBL1696695 0.78 DPP4 (0.39) SLC6A3SLC6A2SLC6A4ALDH1A1MAPK1
SCHEMBL2639846 0.78 DPP4 (0.39) SLC6A3SLC6A2SLC6A4ALDH1A1MAPK1
SCHEMBL12949941 0.77 SLC6A3 (0.36) SLC6A3TSHRSLC6A2SLC6A4ALDH1A1
SCHEMBL13342874 0.75 — —
SCHEMBL20233195 0.75 — —
SCHEMBL13342875 0.75 — —
SCHEMBL13494619 0.74 SLC6A3 (0.35) SLC6A3SLC6A2SLC6A4CAPN1DPP4
SCHEMBL13003564 0.73 SLC6A3 (0.37) SLC6A3TSHRSLC6A2SLC6A4ALDH1A1
SCHEMBL5535517 0.73 GPR142 (0.40) SLC6A3MAPK1NPSR1CAPN1DPP4

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-20060039861-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC., A DELAWARE CORPORATION 2006-02-23 — — 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-20060039861-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA SLC6A3 3296/4885TSHR 2291/4885TP53 509/4885

“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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