SCHEMBL19931429

SCHEMBL19931429

CCCCCCCC/C=C\CCCCCCC/C=N\S(=O)(=O)c1nnc(NC(C)=O)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 11/20 0.46
▸ CA1 P00915 10/20 0.46
▸ CA4 P22748 8/20 0.46
▸ CA9 Q16790 8/20 0.46
▸ CA12 O43570 5/20 0.46
▸ CA3 P07451 5/20 0.46
▸ CA6 P23280 5/20 0.46
▸ CA5A P35218 5/20 0.46
▸ CA7 P43166 5/20 0.46
▸ CA13 Q8N1Q1 5/20 0.46
▸ CA14 Q9ULX7 5/20 0.46
▸ CA5B Q9Y2D0 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ CA11 O75493 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPT P10636 1/20 0.38

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
SCHEMBL19931424 1.00 CA2 (0.46) CA2CA1CA4CA9CA12
SCHEMBL18651397 1.00 CA2 (0.46) CA2CA1CA4CA9CA12
SCHEMBL18651396 1.00 CA2 (0.46) CA2CA1CA4CA9CA12
SCHEMBL18651370 0.97 CA2 (0.43) CA2CA1CA4CA9CA12
SCHEMBL18651398 0.97 CA2 (0.43) CA2CA1CA4CA9CA12
SCHEMBL19845849 0.97 CA2 (0.43) CA2CA1CA4CA9CA12
SCHEMBL18651260 0.97 CA1 (0.49) CA2CA1CA4CA9CA12
SCHEMBL20097492 0.86 CA2 (0.43) CA2CA1CA4CA9CA12
SCHEMBL18651393 0.83 CA2 (0.45) CA2CA1CA4CA9CA12
SCHEMBL18651395 0.83 CA2 (0.45) CA2CA1CA4CA9CA12

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-20180064823-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2018-03-08 — — 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-20180064823-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PTGIR, PTGIS, CA2 CA2 3/4885CA1 149/4885CA4 38/4885

“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.

Send feedback