SCHEMBL22203877

SCHEMBL22203877

CCOC(C)(C)CCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 13/20 0.66
▸ CA2 P00918 13/20 0.66
▸ CA9 Q16790 13/20 0.66
▸ CA12 O43570 6/20 0.66
▸ CA14 Q9ULX7 2/20 0.63
▸ CA7 P43166 1/20 0.63
▸ FKBP1A P62942 3/20 0.62
▸ PTGER3 P43115 1/20 0.55
▸ BTK Q06187 2/20 0.54

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
SCHEMBL18737217 0.96 CA9 (0.65) CA1CA2CA9CA12CA14
SCHEMBL18737255 0.90 CA9 (0.67) CA1CA2CA9CA12CA14
SCHEMBL18736932 0.89 CA9 (0.66) CA1CA2CA9CA12CA14
SCHEMBL19426705 0.89 CA9 (0.71) CA1CA2CA9CA12CA14
SCHEMBL13219607 0.88 CA1 (0.72) CA1CA2CA9CA12CA14
SCHEMBL13815114 0.87 CA1 (0.71) CA1CA2CA9CA12CA14
SCHEMBL21183302 0.87 CA9 (0.61) CA1CA2CA9CA12CA14
SCHEMBL12185092 0.87 CA9 (0.73) CA1CA2CA9CA12CA14
SCHEMBL12160082 0.87 CA1 (0.68) CA1CA2CA9CA12CA14
SCHEMBL23118896 0.87 CA9 (0.55) CA1CA2CA9CA12CA14

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-20200214981-A1 FUNCTIONAL NANOSTRUCTURE RIKEN (JP) 2020-07-09 — — 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-20200214981-A1 FUNCTIONAL NANOSTRUCTURE LRBA, FABP4, MTDH CA1 707/4885CA2 2633/4885CA9 3943/4885

“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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