SCHEMBL25006833

SCHEMBL25006833

C=C(C)C[C@H](N)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 1/20 0.34
GRM1 Q13255 1/20 0.34
GRM2 Q14416 1/20 0.34
TSHR P16473 1/20 0.33
KIF11 P52732 1/20 0.32
EPHX1 P07099 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL10458343 1.00 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2GRIK1GRIK2GRM1
Hydrochloric Acid SCHEMBL29414281 0.98 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2GRIK1GRIK2GRM1
SCHEMBL16775785 0.82 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GRIK1KIF11KMT2A
SCHEMBL16775768 0.82 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GRIK1KIF11KMT2A
SCHEMBL8520 0.82 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GRIK1KIF11KMT2A
SCHEMBL1872921 0.81 ALDH1A1 (0.41) ALDH1A1GRIK1GRIK2GRM1GRM2
SCHEMBL15299749 0.81 ALDH1A1 (0.41) ALDH1A1GRIK1GRIK2GRM1GRM2
SCHEMBL15298839 0.81 ALDH1A1 (0.41) ALDH1A1GRIK1GRIK2GRM1GRM2
Hydrochloric Acid SCHEMBL3394169 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GRIK1KIF11KMT2A
SCHEMBL1427176 0.79 GRIK1 (0.41) ALDH1A1SMN1; SMN2GRIK1GRIK2GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240398757-A1 INHIBITORS FOR CORONAVIRUSES COCRYSTAL PHARMA, INC. 2024-12-05 US disclosed
US-12060333-B2 Aminocarbamoyl compounds for the treatment of viral infections HOFFMANN-LA ROCHE INC. (US) 2024-08-13 US disclosed
EP-4380920-A1 INHIBITORS FOR CORONAVIRUSES Cocrystal Pharma, Inc. (US) 2024-06-12 EP disclosed
CN-118103351-A Coronavirus inhibitors 共晶制药公司 2024-05-28 CN 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-2023014758-A1 INHIBITORS FOR CORONAVIRUSES COCRYSTAL PHARMA, INC. (US) 2023-02-09 WO disclosed
WO-2023014758-A1 INHIBITORS FOR CORONAVIRUSES COCRYSTAL PHARMA, INC. (US) 2023-02-09 WO 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 (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-20240398757-A1 INHIBITORS FOR CORONAVIRUSES ACE, ACE2, SARS1 ALDH1A1 1784/4885SMN1; SMN2 1853/4885GRIK1 4040/4885
US-12060333-B2 Aminocarbamoyl compounds for the treatment of viral infections SARS1, BCAT1, SLC1A5 ALDH1A1 2749/4885SMN1; SMN2 1565/4885GRIK1 3148/4885

“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.