SCHEMBL24500703

SCHEMBL24500703

COc1ncc(COC[C@@H](C)NC(=O)OC(C)(C)C)cc1N=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.39
▸ PPARG P37231 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ AAK1 Q2M2I8 5/20 0.34
▸ KLK7 P49862 1/20 0.34
▸ KLK5 Q9Y337 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ REN P00797 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SYK P43405 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
SCHEMBL24500822 0.88 PPARA (0.40) PPARAPPARGCTSSAAK1KLK7
SCHEMBL22425825 0.85 PPARA (0.40) PPARAPPARGCTSSAAK1KLK7
SCHEMBL24496961 0.82 PPARA (0.37) PPARAPPARGCTSSAAK1KLK7
SCHEMBL29711764 0.82 PPARA (0.37) PPARAPPARGCTSSAAK1KLK7
SCHEMBL29711746 0.82 PPARA (0.37) PPARAPPARGCTSSAAK1KLK7
SCHEMBL24500704 0.81 PPARA (0.44) PPARAPPARGCTSSAAK1KDM4E
SCHEMBL24500706 0.75 PPARA (0.36) PPARAPPARGCTSSAAK1KLK7
SCHEMBL14126538 0.72 CACNA1B (0.53) PPARAPPARGCTSSALDH1A1RAB9A
SCHEMBL506388 0.71 PPARA (0.67) PPARAPPARGCTSSKLK7KLK5
SCHEMBL23390363 0.71 PPARA (0.67) PPARAPPARGCTSSKLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2022-06-09 — — 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-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 PPARA 2062/4885PPARG 2574/4885CTSS 4549/4885

“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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