SCHEMBL3734129

SCHEMBL3734129

CC(NC(=O)C(C(C)C)n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.69
CA1 P00915 13/20 0.69
CA5A P35218 8/20 0.69
CA5B Q9Y2D0 8/20 0.69
CA9 Q16790 7/20 0.69
CA12 O43570 5/20 0.69
CA3 P07451 3/20 0.69
CA4 P22748 3/20 0.69
CA6 P23280 3/20 0.69
CA7 P43166 3/20 0.69
CA13 Q8N1Q1 3/20 0.69
CA14 Q9ULX7 3/20 0.69
PTGS2 P35354 6/20 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
SCHEMBL3734123 1.00 CA2 (0.69) CA2CA1CA5ACA5BCA9
SCHEMBL3743205 0.91 CA2 (0.68) CA2CA1CA5ACA5BCA9
SCHEMBL3743198 0.91 CA2 (0.68) CA2CA1CA5ACA5BCA9
SCHEMBL13012579 0.91 CA2 (0.65) CA2CA1CA5ACA5BCA9
SCHEMBL13042269 0.90 CA2 (0.70) CA2CA1CA5ACA5BCA9
SCHEMBL3727950 0.88 CA2 (0.69) CA2CA1CA5ACA5BCA9
SCHEMBL3727945 0.88 CA2 (0.69) CA2CA1CA5ACA5BCA9
SCHEMBL13042268 0.85 CA2 (0.67) CA2CA1CA5ACA5BCA9
SCHEMBL3746304 0.85 CA2 (0.74) CA2CA1CA5ACA5BCA9
SCHEMBL3746307 0.85 CA2 (0.74) CA2CA1CA5ACA5BCA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 US claimed
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
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 US disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 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 (2 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 9/4885CA1 5/4885CA5A 12/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 CA2 9/4885CA1 5/4885CA5A 12/4885

“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.