SCHEMBL3743439

SCHEMBL3743439

NS(=O)(=O)c1ccc(-c2cn(C(Cc3ccccc3)C(=O)N3CCC(N4CCCC4)CC3)nn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.53
CA2 P00918 7/20 0.53
CA9 Q16790 6/20 0.53
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA7 P43166 4/20 0.53
CA14 Q9ULX7 4/20 0.53
CA5A P35218 4/20 0.53
CA5B Q9Y2D0 4/20 0.53
CA3 P07451 3/20 0.53
CA4 P22748 3/20 0.53
CA6 P23280 3/20 0.53
CA13 Q8N1Q1 3/20 0.53
CHRM1 P11229 2/20 0.49
TSHR P16473 3/20 0.44
GAA P10253 2/20 0.44
F10 P00742 1/20 0.41
PTGS2 P35354 3/20 0.41
CALCRL Q16602 2/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL3743436 1.00 ALOX15 (0.53) ALOX15CA2CA9CA12CA1
SCHEMBL3735047 0.89 CA2 (0.55) CA2CA9CA12CA1CA7
SCHEMBL13042295 0.86 CA2 (0.53) CA2CA9CA12CA1CA7
SCHEMBL13012627 0.84 CA2 (0.50) CA2CA9CA12CA1CA7
SCHEMBL3735058 0.83 CA2 (0.54) CA2CA9CA12CA1CA7
SCHEMBL3735061 0.83 CA2 (0.54) CA2CA9CA12CA1CA7
SCHEMBL3746257 0.82 MAPK1 (0.55) CA2CA9CA12CA1CA7
SCHEMBL3746255 0.82 MAPK1 (0.55) CA2CA9CA12CA1CA7
SCHEMBL3736097 0.81 CA2 (0.72) CA2CA9CA12CA1CA7
SCHEMBL3736093 0.81 CA2 (0.72) CA2CA9CA12CA1CA7

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 ALOX15 2992/4885CA2 9/4885CA9 1/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 ALOX15 2992/4885CA2 9/4885CA9 1/4885

“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.