SCHEMBL23643591

SCHEMBL23643591

CCN(C(=O)CCCOC(=O)COC(C)=O)[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.56
CA4 P22748 7/20 0.56
CA1 P00915 9/20 0.55
CA12 O43570 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA13 Q8N1Q1 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
LMNA P02545 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
SCHEMBL23643754 0.93 CA2 (0.59) CA2CA4CA1CA12CA6
SCHEMBL23643367 0.92 CA2 (0.62) CA2CA4CA1CA12CA6
SCHEMBL23643580 0.90 CA2 (0.45) CA2CA4CA1CA12CA6
SCHEMBL23643586 0.90 CA2 (0.58) CA2CA4CA1CA12CA6
SCHEMBL23643659 0.85 CA2 (0.55) CA2CA4CA1CA12CA6
SCHEMBL4750255 0.85 CA2 (0.68) CA2CA4CA1CA12CA6
SCHEMBL23643697 0.85 CA2 (0.61) CA2CA4CA1CA12CA6
SCHEMBL23643723 0.84 CA2 (0.47) CA2CA4CA1CA12CA6
SCHEMBL18651252 0.83 CA2 (0.67) CA2CA4CA1CA12CA6
SCHEMBL23643610 0.82 CA2 (0.68) CA2CA4CA1CA12CA6

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-20210275456-A1 AGGREGATED MICROPARTICLES Graybug Vision, Inc. (US) 2021-09-09 US disclosed
US-20210214374-A1 COMPOUNDS AND COMPOSITIONS FOR OCULAR DELIVERY Graybug Vision, Inc. (US) 2021-07-15 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-20210275456-A1 AGGREGATED MICROPARTICLES VCL, MYOC, CD44 CA2 1716/4885CA4 2861/4885CA1 3479/4885
US-20210214374-A1 COMPOUNDS AND COMPOSITIONS FOR OCULAR DELIVERY KDR, RB1, PDE6C CA2 934/4885CA4 1312/4885CA1 4540/4885

“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.