SCHEMBL2672029

SCHEMBL2672029

CC1(C)OCC(C2OC3OC(C)(C)OC3C2OC(=O)CCC(=O)O)O1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.56
CA1 P00915 5/20 0.56
CA9 Q16790 2/20 0.56
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.31
PTGES2 Q9H7Z7 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
SCHEMBL2672026 1.00 CA2 (0.56) CA2CA1CA9CA12CA4
SCHEMBL2672023 0.95 CA2 (0.60) CA2CA1CA9CA12CA4
SCHEMBL1705397 0.93 CA1 (0.54) CA2CA1CA9CA12CA4
SCHEMBL2671393 0.93 CA1 (0.54) CA2CA1CA9CA12CA4
SCHEMBL1705396 0.91 CA2 (0.58) CA2CA1CA9CA12CA4
SCHEMBL10204186 0.89 CA2 (0.57) CA2CA1CA9CA12CA4
SCHEMBL10204170 0.87 CA2 (0.59) CA2CA1CA9CA12CA4
SCHEMBL11520537 0.86 CA2 (0.58) CA2CA1CA9CA12CA4
SCHEMBL15254186 0.85 CA2 (0.63) CA2CA1CA9CA12CA4
SCHEMBL15254188 0.85 CA2 (0.63) CA2CA1CA9CA12CA4

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-20120108501-A1 Protease Inhibitors NEKTAR THERAPEUTICS (US) 2012-05-03 US disclosed
WO-2010144869-A2 PROTEASE INHIBITORS NEKTAR THERAPEUTICS (US) 2010-12-16 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-20120108501-A1 Protease Inhibitors DNPEP, ADAM17, PREP CA2 2148/4885CA1 1106/4885CA9 1763/4885

“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.