SCHEMBL25244468

SCHEMBL25244468

CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NN

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.73
▸ TAS1R1 Q7RTX1 1/20 0.73
▸ GAA P10253 3/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ CTSS P25774 4/20 0.62
▸ CTSL P07711 3/20 0.62
▸ LMNA P02545 1/20 0.60
▸ CTSK P43235 2/20 0.57
▸ DRD2 P14416 1/20 0.56
▸ PYGL P06737 1/20 0.55
▸ F2RL1 P55085 1/20 0.51
▸ HPGD P15428 1/20 0.50
▸ F2R P25116 1/20 0.50

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
SCHEMBL25286173 1.00 TAS1R3 (0.73) TAS1R3TAS1R1GAAKDM4EALDH1A1
SCHEMBL25517392 0.86 TAS1R3 (0.78) TAS1R3TAS1R1GAACTSSCTSL
SCHEMBL20853657 0.86 TAS1R3 (0.78) TAS1R3TAS1R1GAACTSSCTSL
SCHEMBL25197064 0.86 TAS1R3 (0.78) TAS1R3TAS1R1GAACTSSCTSL
SCHEMBL10784947 0.86 TAS1R3 (0.67) TAS1R3TAS1R1GAAKDM4EALDH1A1
SCHEMBL25244832 0.86 TAS1R3 (0.70) TAS1R3TAS1R1GAACTSSCTSL
SCHEMBL25287270 0.86 TAS1R3 (0.70) TAS1R3TAS1R1GAACTSSCTSL
SCHEMBL6663347 0.85 TAS1R3 (0.76) TAS1R3TAS1R1GAAKDM4EALDH1A1
SCHEMBL702413 0.84 TAS1R3 (1.00) TAS1R3TAS1R1GAAKDM4EALDH1A1
SCHEMBL702414 0.84 TAS1R3 (1.00) TAS1R3TAS1R1GAAKDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060333-B2 Aminocarbamoyl compounds for the treatment of viral infections HOFFMANN-LA ROCHE INC. (US) 2024-08-13 — — US disclosed
CN-116438160-A Carbamoyl compounds for the treatment of viral infections 豪夫迈·罗氏有限公司 2023-07-14 — — CN disclosed
EP-4204393-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2023-07-05 — — EP disclosed
WO-2022043374-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2022-03-03 — — WO 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-12060333-B2 Aminocarbamoyl compounds for the treatment of viral infections SARS1, BCAT1, SLC1A5 TAS1R3 2062/4885TAS1R1 1564/4885GAA 2784/4885

“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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