SCHEMBL23866563

SCHEMBL23866563

CC(C)NC(=O)[C@H](O)C(C)(C)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ DPP4 P27487 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
SCHEMBL23866540 1.00 CA12 (0.34) CA12CA1CA2MMP1MMP2
SCHEMBL23866562 1.00 CA12 (0.34) CA12CA1CA2MMP1MMP2
SCHEMBL19845930 0.83 MMP1 (0.36) CA12CA1CA2MMP1MMP2
SCHEMBL4628838 0.80 MME (0.43) —
SCHEMBL26665615 0.76 MLYCD (0.37) CA12CA1CA2MMP1MMP2
SCHEMBL26666338 0.76 MLYCD (0.37) CA12CA1CA2MMP1MMP2
SCHEMBL12890245 0.76 MLYCD (0.37) CA12CA1CA2MMP1MMP2
SCHEMBL27410744 0.75 MMP3 (0.34) MMP1MMP2MMP9MMP8
SCHEMBL21661368 0.74 DPP4 (0.46) CA12CA1CA2MMP1MMP2
SCHEMBL20953667 0.71 HIF1A (0.43) CA12CA1CA2MMP1MMP2

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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 — — 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CA12 4718/4885CA1 4822/4885CA2 4588/4885

“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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