SCHEMBL3737799

SCHEMBL3737799

NS(=O)(=O)c1ccc(-c2cn([C@@H](Cc3ccccc3)C(=O)NCC3CC3)nn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.67
CA9 Q16790 6/20 0.67
CA12 O43570 5/20 0.67
CA1 P00915 5/20 0.67
CA5A P35218 4/20 0.67
CA5B Q9Y2D0 4/20 0.67
CA7 P43166 4/20 0.67
CA14 Q9ULX7 4/20 0.67
CA3 P07451 3/20 0.67
CA4 P22748 3/20 0.67
CA6 P23280 3/20 0.67
CA13 Q8N1Q1 3/20 0.67
BCHE P06276 4/20 0.47
PTGS2 P35354 3/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP3 P08254 1/20 0.43
MMP10 P09238 1/20 0.43
MMP12 P39900 1/20 0.43
MMP14 P50281 1/20 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
SCHEMBL3737802 1.00 CA2 (0.67) CA2CA9CA12CA1CA5A
SCHEMBL13062080 0.87 CA12 (0.50) CA2CA9CA12CA1CA5A
SCHEMBL3737829 0.85 CA2 (0.61) CA2CA9CA12CA1CA5A
SCHEMBL3737825 0.85 CA2 (0.61) CA2CA9CA12CA1CA5A
SCHEMBL3739959 0.84 CA2 (0.73) CA2CA9CA12CA1CA5A
SCHEMBL3739955 0.84 CA2 (0.73) CA2CA9CA12CA1CA5A
SCHEMBL3738132 0.84 CA2 (0.59) CA2CA9CA12CA1CA5A
SCHEMBL3732390 0.83 CA2 (0.65) CA2CA9CA12CA1CA5A
SCHEMBL3732387 0.83 CA2 (0.65) CA2CA9CA12CA1CA5A
SCHEMBL3733010 0.83 CA2 (0.67) CA2CA9CA12CA1CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679318-A Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Linkage Chemistry SIEMENS MEDICAL SOLUTIONS 2010-03-24 CN claimed
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
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
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-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
CN-101679318-A Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Linkage Chemistry SIEMENS MEDICAL SOLUTIONS 2010-03-24 CN 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 9/4885CA9 1/4885CA12 7/4885
US-20090123372-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.