SCHEMBL22247342

SCHEMBL22247342

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nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
TP53 P04637 1/20 0.36
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
CYP2C9 P11712 1/20 0.31
PDE4A P27815 1/20 0.31
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL6919782 0.77 TP53 (0.41) TSHRTP53
SCHEMBL25624977 0.77 TSHR (0.43) TSHRTP53GRIK1GRIK2CYP2C9
SCHEMBL25624972 0.77 TSHR (0.43) TSHRTP53GRIK1GRIK2CYP2C9
SCHEMBL6919784 0.77 TP53 (0.41) TSHRTP53
SCHEMBL28362973 0.75 SLC7A5 (0.44) TP53GRIK1GRIK2
SCHEMBL19154903 0.75 SLC7A5 (0.44) TP53GRIK1GRIK2
SCHEMBL21901973 0.75 SLC7A5 (0.44) TP53GRIK1GRIK2
SCHEMBL18153964 0.74 TSHR (0.45) TSHRTP53CYP2C9PDE4ANFKB1
SCHEMBL17831093 0.74 TSHR (0.45) TSHRTP53CYP2C9PDE4A
SCHEMBL18153965 0.74 TSHR (0.45) TSHRTP53CYP2C9PDE4ANFKB1

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-11680042-B2 Compounds, reagents, and uses thereof METABOLON, INC. (US) 2023-06-20 US disclosed
US-20200231541-A1 COMPOUNDS, REAGENTS, AND USES THEREOF METABOLON, INC. 2020-07-23 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 (2 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-11680042-B2 Compounds, reagents, and uses thereof REN, ATP6V1B1, PKD1 TSHR 2690/4885TP53 4554/4885GRIK1 2381/4885
US-20200231541-A1 COMPOUNDS, REAGENTS, AND USES THEREOF REN, ATP6V1B1, PKD1 TSHR 2690/4885TP53 4554/4885GRIK1 2381/4885

“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.