SCHEMBL10182248

SCHEMBL10182248

CCOC(=O)C1CCN(C(=O)[C@H](C(C)C)n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.67
CA9 Q16790 3/20 0.67
CA12 O43570 2/20 0.67
CA1 P00915 2/20 0.67
CA3 P07451 2/20 0.67
CA4 P22748 2/20 0.67
CA6 P23280 2/20 0.67
CA5A P35218 2/20 0.67
CA7 P43166 2/20 0.67
CA13 Q8N1Q1 2/20 0.67
CA14 Q9ULX7 2/20 0.67
CA5B Q9Y2D0 2/20 0.67
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
KCNH2 Q12809 3/20 0.47
PTGS1 P23219 2/20 0.47
EPHX2 P34913 2/20 0.47
PTGS2 P35354 2/20 0.47
KMT2A Q03164 2/20 0.43

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
SCHEMBL3736157 0.87 CA2 (0.74) CA2CA9CA12CA1CA3
SCHEMBL13042273 0.87 CA2 (0.73) CA2CA9CA12CA1CA3
SCHEMBL13012627 0.84 CA2 (0.50) CA2CA9CA12CA1CA3
SCHEMBL3736097 0.82 CA2 (0.72) CA2CA9CA12CA1CA3
SCHEMBL3736093 0.82 CA2 (0.72) CA2CA9CA12CA1CA3
SCHEMBL3735995 0.79 CA2 (0.67) CA2CA9CA12CA1CA3
SCHEMBL13042138 0.79 CA2 (0.75) CA2CA9CA12CA1CA3
SCHEMBL13012368 0.79 CA2 (0.75) CA2CA9CA12CA1CA3
SCHEMBL3735550 0.79 CA2 (0.75) CA2CA9CA12CA1CA3
SCHEMBL3735057 0.77 CA2 (0.66) CA2CA9CA12CA1CA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354092-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-15 US disclosed
US-8354092-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-15 US disclosed
EP-2468734-A1 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry Siemens Medical Solutions USA, Inc. (US) 2012-06-27 EP disclosed
US-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 CA2 9/4885CA9 1/4885CA12 7/4885

“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.