Sugi Predict

Sugi Predict / Compounds / SCHEMBL3735047

SCHEMBL3735047

SCHEMBL3735047

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 9/20 0.55
▸ CA9 Q16790 8/20 0.55
▸ CA12 O43570 7/20 0.55
▸ CA1 P00915 7/20 0.55
▸ CA7 P43166 4/20 0.55
▸ CA14 Q9ULX7 4/20 0.55
▸ CA5A P35218 4/20 0.55
▸ CA5B Q9Y2D0 4/20 0.55
▸ CA3 P07451 3/20 0.55
▸ CA4 P22748 3/20 0.55
▸ CA6 P23280 3/20 0.55
▸ CA13 Q8N1Q1 3/20 0.55
▸ PTGS2 P35354 4/20 0.43
▸ F10 P00742 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL13012627 0.89 CA2 (0.50) CA2CA9CA12CA1CA7
SCHEMBL3743439 0.89 ALOX15 (0.53) CA2CA9CA12CA1CA7
SCHEMBL3743436 0.89 ALOX15 (0.53) CA2CA9CA12CA1CA7
SCHEMBL13042295 0.89 CA2 (0.53) CA2CA9CA12CA1CA7
SCHEMBL3735061 0.85 CA2 (0.54) CA2CA9CA12CA1CA7
SCHEMBL3735058 0.85 CA2 (0.54) CA2CA9CA12CA1CA7
SCHEMBL3746255 0.84 MAPK1 (0.55) CA2CA9CA12CA1CA7
SCHEMBL3746257 0.84 MAPK1 (0.55) CA2CA9CA12CA1CA7
SCHEMBL3729975 0.83 CA2 (0.52) CA2CA9CA12CA1CA7
SCHEMBL3729976 0.83 CA2 (0.52) 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 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.