SCHEMBL23924442

SCHEMBL23924442

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nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.46
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
BLM P54132 2/20 0.33
ACHE P22303 2/20 0.33
PTGS1 P23219 2/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1I2 O75469 1/20 0.33
ADRA1A P35348 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PGD P52209 1/20 0.32
CYP1A2 P05177 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
SCHEMBL2367281 1.00 SLC7A5 (0.46) SLC7A5TSHRUSP2SLCO1B1SLC1A3
SCHEMBL1867465 1.00 SLC7A5 (0.46) SLC7A5TSHRUSP2SLCO1B1SLC1A3
SCHEMBL31000531 1.00 SLC7A5 (0.46) SLC7A5TSHRUSP2SLCO1B1SLC1A3
SCHEMBL1867463 1.00 SLC7A5 (0.46) SLC7A5TSHRUSP2SLCO1B1SLC1A3
SCHEMBL1867460 1.00 SLC7A5 (0.46) SLC7A5TSHRUSP2SLCO1B1SLC1A3
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL5513561 0.95 TSHR (0.45) SLC7A5TSHRUSP2SLCO1B1SLC1A3
SCHEMBL5324417 0.83 USP2 (0.48) SLC7A5TSHRUSP2SLCO1B1SLC1A3
SCHEMBL5580345 0.83 USP2 (0.48) SLC7A5TSHRUSP2SLCO1B1SLC1A3
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL2553076 0.81 TSHR (0.56) SLC7A5TSHRUSP2SLCO1B1SLC1A3
D,L-Threo-3-Hydroxyaspartic Acid SCHEMBL5019049 0.81 TSHR (0.56) SLC7A5TSHRUSP2SLCO1B1SLC1A3

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
CN-113527420-A Antibacterial calcium-dependent antibiotic (CDA) analogs and methods of treating bacterial infections 香港大学 2021-10-22 CN disclosed
US-20210324009-A1 ANTI-BACTERIAL CALCIUM-DEPENDENT ANTIBIOTIC (CDA) ANALOGS AND METHODS OF TREATING BACTERIAL INFECTIONS THE UNIVERSITY OF HONG KONG (CN) 2021-10-21 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-20210324009-A1 ANTI-BACTERIAL CALCIUM-DEPENDENT ANTIBIOTIC (CDA) ANALOGS AND METHODS OF TREATING BACTERIAL INFECTIONS ORAI1, CASR, CALCA SLC7A5 2011/4885TSHR 4761/4885USP2 3229/4885

“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.