SCHEMBL23027406

SCHEMBL23027406

NC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.68
CA2 P00918 14/20 0.68
CA9 Q16790 14/20 0.68
CA12 O43570 6/20 0.68
CA14 Q9ULX7 2/20 0.62
CA7 P43166 2/20 0.62
FKBP1A P62942 3/20 0.55
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
HTR3A P46098 1/20 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
SCHEMBL14754541 0.92 CA1 (0.67) CA1CA2CA9CA12CA14
SCHEMBL24444501 0.91 CA9 (0.72) CA1CA2CA9CA12CA14
SCHEMBL17245254 0.90 CA1 (0.64) CA1CA2CA9CA12CA14
SCHEMBL19455756 0.90 CA1 (0.64) CA1CA2CA9CA12CA14
SCHEMBL26084225 0.88 CA1 (0.68) CA1CA2CA9CA12CA14
SCHEMBL14642801 0.88 CA1 (0.67) CA1CA2CA9CA12CA14
SCHEMBL16525362 0.87 CA1 (0.64) CA1CA2CA9CA12CA14
SCHEMBL21728989 0.86 CA9 (0.73) CA1CA2CA9CA12CA14
SCHEMBL21151146 0.86 CA9 (0.73) CA1CA2CA9CA12CA14
SCHEMBL5057133 0.86 CA9 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11815517-B2 Antibodies to 25-hydroxyvitamin D2 and D3 SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2023-11-14 US disclosed
US-20210055314-A1 METHOD FOR DETECTING TOTAL 25-HYDROXYVITAMIN D USING ANTIBODIES TO 25-HYDROXYVITAMIN D2 AND D3 SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2021-02-25 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 (2 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-11815517-B2 Antibodies to 25-hydroxyvitamin D2 and D3 VDR, GC, CYP24A1 CA1 1616/4885CA2 1047/4885CA9 2331/4885
US-20210055314-A1 METHOD FOR DETECTING TOTAL 25-HYDROXYVITAMIN D USING ANTIBODIES TO 25-HYDROXYVITAMIN D2 AND D3 GC, VDR, CYP24A1 CA1 1785/4885CA2 929/4885CA9 2656/4885

“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.