SCHEMBL14642801

SCHEMBL14642801

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

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.67
CA2 P00918 10/20 0.67
CA9 Q16790 10/20 0.67
CA12 O43570 6/20 0.67
CA14 Q9ULX7 2/20 0.62
CA7 P43166 1/20 0.62
PTGER3 P43115 1/20 0.58
FKBP1A P62942 3/20 0.58
HTR3A P46098 3/20 0.56
ADORA3 P0DMS8 2/20 0.55
ADORA2A P29274 2/20 0.55
ADORA1 P30542 1/20 0.55

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
SCHEMBL18653006 0.92 CA1 (0.65) CA1CA2CA9CA12CA14
SCHEMBL14642993 0.91 CA1 (0.56) CA1CA2CA9CA12CA14
SCHEMBL1638181 0.91 CA1 (0.75) CA1CA2CA9CA12CA14
SCHEMBL16525362 0.91 CA1 (0.64) CA1CA2CA9CA12CA14
SCHEMBL13219616 0.91 CA1 (0.62) CA1CA2CA9CA12CA14
SCHEMBL14754541 0.90 CA1 (0.67) CA1CA2CA9CA12CA14
SCHEMBL24444501 0.88 CA9 (0.72) CA1CA2CA9CA12CA14
SCHEMBL12675190 0.88 CA1 (0.68) CA1CA2CA9CA12CA14
SCHEMBL14032186 0.88 CA9 (0.67) CA1CA2CA9CA12CA14
SCHEMBL23027406 0.88 CA1 (0.68) 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-20130018195-A1 FLUORESCENT CELL MARKERS KODE BIOTECH LIMITED (NZ) 2013-01-17 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-20130018195-A1 FLUORESCENT CELL MARKERS CD69, SPTLC2, CD4 CA1 1640/4885CA2 3686/4885CA9 4355/4885

“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.