SCHEMBL6799803

SCHEMBL6799803

CN(C)C(=O)C(O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.36
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
PDF Q9HBH1 2/20 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
SCHEMBL5103035 0.76 DPP4 (0.53) DPP4ALDH1A1TSHRPDF
SCHEMBL26665617 0.76 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL4956827 0.76 DPP4 (0.53) DPP4ALDH1A1TSHRPDF
SCHEMBL22743972 0.75 DPP4 (0.40) DPP4TSHR
SCHEMBL21325199 0.74 DPP4 (0.33) DPP4ALDH1A1TSHRPDF
Hydrochloric Acid SCHEMBL3207817 0.74 DPP4 (0.52) DPP4ALDH1A1PDF
Hydrochloric Acid SCHEMBL3207807 0.74 DPP4 (0.52) DPP4ALDH1A1PDF
SCHEMBL12867291 0.72 ALDH1A1 (0.38) DPP4ALDH1A1TSHRPDF
SCHEMBL14108242 0.72 ALDH1A1 (0.38) DPP4ALDH1A1TSHRPDF
SCHEMBL26378526 0.72 TP53 (0.33) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 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-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB DPP4 995/4885ALDH1A1 4109/4885TSHR 4624/4885

“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.