SCHEMBL12396265

SCHEMBL12396265

CC(C)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CA7 P43166 2/20 0.67
CTSK P43235 11/20 0.47
CYP2D6 P10635 1/20 0.47
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46
CTSS P25774 5/20 0.45
MAPK1 P28482 1/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
KLK5 Q9Y337 1/20 0.38

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
SCHEMBL7420759 0.86 CA1 (0.67) CA1CA2CA7CTSKCYP2D6
SCHEMBL3370592 0.86 CA1 (0.67) CA1CA2CA7CTSKCYP2D6
SCHEMBL90687 0.83 CA1 (0.63) CA1CA2CA7CTSKCYP2D6
SCHEMBL89892 0.83 CA1 (0.63) CA1CA2CA7CTSKCYP2D6
SCHEMBL23924815 0.83 CA1 (0.63) CA1CA2CA7CTSKCYP2D6
SCHEMBL1414602 0.81 CA1 (0.71) CA1CA2CA7CTSKCYP2D6
SCHEMBL1134642 0.81 CA1 (0.71) CA1CA2CA7CTSKCYP2D6
SCHEMBL38665117 0.81 CA1 (0.71) CA1CA2CA7CTSKCYP2D6
SCHEMBL1809665 0.81 CA1 (0.71) CA1CA2CA7CTSKCYP2D6
SCHEMBL14098271 0.81 CA1 (0.71) CA1CA2CA7CTSKCYP2D6

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-7985860-B2 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives SCHERING CORPORATION (US) 2011-07-26 US disclosed
US-20080045718-A1 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives MERCK SHARP & DOHME CORP. 2008-02-21 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-20080045718-A1 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives PDE4B, PDE4A, PDE3B CA1 2955/4885CA2 491/4885CA7 356/4885

“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.