SCHEMBL13489798

SCHEMBL13489798

C#C[C@H](C(C)C)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.31
DPP4 P27487 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
USP30 Q70CQ3 1/20 0.31
CTSD P07339 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL28163245 0.85 DPP4 (0.33) AAK1DPP4CA1CA2CA7
SCHEMBL3244669 0.81 DPP4 (0.33) AAK1DPP4
SCHEMBL38666150 0.81 DPP4 (0.33) AAK1DPP4
SCHEMBL6971708 0.79 USP30 (0.31) USP30
SCHEMBL18714767 0.75 MMP13 (0.31) AAK1
SCHEMBL21964901 0.75 CA1 (0.35) AAK1DPP4CA1CA2CA7
SCHEMBL5345861 0.74 AAK1 (0.35) AAK1CA1CA2CA7USP30
SCHEMBL7060767 0.74 AAK1 (0.33) AAK1CA1CA2CA7CTSD
SCHEMBL21104426 0.74 AAK1 (0.33) AAK1
SCHEMBL7060773 0.74 AAK1 (0.33) AAK1CA1CA2CA7CTSD

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-20100047841-A1 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2010-02-25 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-20100047841-A1 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF XDH, XPA, TPX2 AAK1 2623/4885DPP4 3874/4885CA1 4348/4885

“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.