SCHEMBL3729976

SCHEMBL3729976

NS(=O)(=O)c1ccc(-c2cn(C(Cc3ccccc3)C(=O)N3CCN(c4ccccn4)CC3)nn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.52
CA1 P00915 8/20 0.52
CA9 Q16790 8/20 0.52
CA7 P43166 7/20 0.52
CA12 O43570 5/20 0.52
CA3 P07451 3/20 0.52
CA4 P22748 3/20 0.52
CA6 P23280 3/20 0.52
CA5A P35218 3/20 0.52
CA13 Q8N1Q1 3/20 0.52
CA14 Q9ULX7 3/20 0.52
CA5B Q9Y2D0 3/20 0.52
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 4/20 0.44
ADRB2 P07550 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3729975 1.00 CA2 (0.52) CA2CA1CA9CA7CA12
SCHEMBL3746255 0.92 MAPK1 (0.55) CA2CA1CA9CA7CA12
SCHEMBL3746257 0.92 MAPK1 (0.55) CA2CA1CA9CA7CA12
SCHEMBL10180564 0.90 GFER (0.47) CA2CA1CA9CA7CA12
SCHEMBL3735058 0.84 CA2 (0.54) CA2CA1CA9CA7CA12
SCHEMBL3735061 0.84 CA2 (0.54) CA2CA1CA9CA7CA12
SCHEMBL3738270 0.84 CA2 (0.63) CA2CA1CA9CA7CA12
SCHEMBL3738266 0.84 CA2 (0.63) CA2CA1CA9CA7CA12
SCHEMBL3735047 0.83 CA2 (0.55) CA2CA1CA9CA7CA12
SCHEMBL3743439 0.81 ALOX15 (0.53) CA2CA1CA9CA7CA12

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 5/4885CA9 1/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 CA2 9/4885CA1 5/4885CA9 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.