SCHEMBL22425825

SCHEMBL22425825

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.40
▸ PPARG P37231 1/20 0.39
▸ CTSS P25774 1/20 0.38
▸ AAK1 Q2M2I8 7/20 0.35
▸ KLK7 P49862 2/20 0.35
▸ KLK5 Q9Y337 2/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ REN P00797 1/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ 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
SCHEMBL24500703 0.85 PPARA (0.39) PPARAPPARGCTSSAAK1KLK7
SCHEMBL29711746 0.84 PPARA (0.37) PPARAPPARGCTSSAAK1KLK7
SCHEMBL29711764 0.84 PPARA (0.37) PPARAPPARGCTSSAAK1KLK7
SCHEMBL24496961 0.84 PPARA (0.37) PPARAPPARGCTSSAAK1KLK7
SCHEMBL22425737 0.81 PPARA (0.47) PPARAPPARGCTSSAAK1CA2
SCHEMBL22425939 0.81 PPARA (0.47) PPARAPPARGCTSSAAK1CA2
SCHEMBL22425744 0.81 PPARA (0.47) PPARAPPARGCTSSAAK1CA2
SCHEMBL24500229 0.77 P2RX3 (0.31) —
SCHEMBL24500822 0.77 PPARA (0.40) PPARAPPARGCTSSAAK1KLK7
SCHEMBL18862943 0.76 TRPA1 (0.46) AAK1TRPA1CA2CA1CA4

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
US-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2022-06-09 — — US disclosed
WO-2020185755-A1 TYK2 INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-17 — — 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-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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