SCHEMBL31369953

SCHEMBL31369953

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nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.46
SLC1A3 P43003 12/20 0.40
SLC1A2 P43004 12/20 0.40
SLC1A1 P43005 11/20 0.40
GLO1 Q04760 1/20 0.35
LAP3 P28838 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 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
SCHEMBL19872291 0.81 TSHR (0.41) SLC7A5TSHR
SCHEMBL2030960 0.80 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL29957288 0.80 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL398123 0.80 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL12843923 0.80 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL398124 0.80 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL7268427 0.79 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
Hydrochloric Acid SCHEMBL1536307 0.78 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL8715906 0.78 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL9730337 0.77 TSHR (0.35) SLC7A5CYP2D6CYP2C19TSHR

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 SLC7A5 66/4885SLC1A3 184/4885SLC1A2 369/4885

“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.