SCHEMBL19149609

SCHEMBL19149609

CC(COC(=O)O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.33
MMP13 P45452 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL19149608 0.88 HDAC6 (0.36) AAK1MMP13CHRNB2CHRNA4HDAC6
SCHEMBL6418739 0.86 HDAC6 (0.38) AAK1MMP13CHRNB2CHRNA4HDAC6
SCHEMBL6418732 0.86 HDAC6 (0.38) AAK1MMP13CHRNB2CHRNA4HDAC6
SCHEMBL18352602 0.83 HDAC6 (0.35) AAK1CHRNB2CHRNA4HDAC6HDAC1
SCHEMBL18352511 0.83 HDAC6 (0.35) AAK1CHRNB2CHRNA4HDAC6HDAC1
SCHEMBL8248471 0.82 AAK1 (0.34) AAK1MMP13CHRNB2CHRNA4HDAC6
SCHEMBL16751215 0.82 AAK1 (0.34) AAK1MMP13CHRNB2CHRNA4HDAC6
SCHEMBL16812760 0.79 ADRB2 (0.50) MMP13
SCHEMBL7351512 0.79 AAK1 (0.34) AAK1MMP13CHRNB2CHRNA4HDAC6
SCHEMBL10473406 0.79 AAK1 (0.34) AAK1MMP13CHRNB2CHRNA4HDAC6

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-20190031613-A1 COMPOUNDS AND METHODS FOR THEIR USE IN THE TREATMENT OF MALARIA UNIVERSITY OF SOUTH FLORIDA 2019-01-31 US disclosed
WO-2017127820-A1 COMPOUNDS AND METHODS FOR THEIR USE IN THE TREATMENT OF MALARIA UNIVERSITY OF SOUTH FLORIDA (US) 2017-07-27 WO 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-20190031613-A1 COMPOUNDS AND METHODS FOR THEIR USE IN THE TREATMENT OF MALARIA G6PD, DHFR, GLS2 AAK1 4410/4885MMP13 2974/4885CHRNB2 4513/4885

“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.