SCHEMBL19851541

SCHEMBL19851541

CC(=O)C(C)(C)OC(C)C(=O)NC(C)C

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA12 O43570 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 1/20 0.30
TSHR P16473 1/20 0.30
MLYCD O95822 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL19000010 0.81 MLYCD (0.36) CA1CA2CA12MMP1MMP2
SCHEMBL3663109 0.75 SMN1; SMN2 (0.41) CA1CA2CA12CA9CA7
SCHEMBL13554077 0.71 TSHR (0.39) TSHR
SCHEMBL12449198 0.70 TSHR (0.46) CA1CA2CA12MMP1MMP2
SCHEMBL13396864 0.70 TSHR (0.46) CA1CA2CA12MMP1MMP2
SCHEMBL16425666 0.69
SCHEMBL8739706 0.69
SCHEMBL24848507 0.69 CA12 (0.42) CA1CA2CA12MMP1MMP2
SCHEMBL18885420 0.69 CA12 (0.42) CA1CA2CA12MMP1MMP2
SCHEMBL2122233 0.69 CA12 (0.42) CA1CA2CA12MMP1MMP2

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-20180036416-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2018-02-08 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-20180036416-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PTGIR, PTGIS, CA2 DPP4 2574/4885CA1 149/4885CA2 3/4885

“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.