SCHEMBL3410189

SCHEMBL3410189

NS(=O)(=O)c1ccc(NC(=S)NCCCCCCCCN(Cc2ccccn2)Cc2ccccn2)cc1.O=C=[Re](=C=O)=C=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.61
CA2 P00918 11/20 0.61
CA9 Q16790 4/20 0.51
CA12 O43570 3/20 0.47
ALDH1A1 P00352 4/20 0.46
DUSP3 P51452 2/20 0.46
PTPN11 Q06124 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 1/20 0.44
PTPN5 P54829 1/20 0.43
ACHE P22303 1/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL2474574 0.94 CA1 (0.69) CA1CA2CA9CA12ALDH1A1
SCHEMBL2839421 0.94 CA1 (0.69) CA1CA2CA9CA12ALDH1A1
SCHEMBL2469928 0.87 CA1 (0.62) CA1CA2CA9CA12ALDH1A1
SCHEMBL10261443 0.81 SMN1; SMN2 (0.51) CA1CA2ALDH1A1HPGDSMN1; SMN2
SCHEMBL2835965 0.80 CA1 (0.66) CA1CA2CA9CA12ALDH1A1
SCHEMBL15906814 0.80 CA2 (0.76) CA1CA2CA9CA12ALDH1A1
SCHEMBL15512469 0.79 SMN1; SMN2 (0.51) CA1CA2ALDH1A1HPGDSMN1; SMN2
SCHEMBL18059017 0.78 CA2 (0.64) CA1CA2CA9CA12ALDH1A1
SCHEMBL2830813 0.78 CA2 (0.64) CA1CA2CA9CA12ALDH1A1
SCHEMBL2839226 0.77 CA1 (0.59) CA1CA2CA9CA12CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2823826-A2 Inhibitors of carbonic anhydrase IX Molecular Insight Pharmaceuticals, Inc. (US) 2015-01-14 EP disclosed
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
EP-2240171-A2 INHIBITORS OF CARBONIC ANHYDRASE IX Molecular Insight Pharmaceuticals, Inc. (US) 2010-10-20 EP disclosed
WO-2009089383-A2 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2009-07-16 WO disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 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 (1 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-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX CA9, CA12, CA1 CA1 3/4885CA2 7/4885CA9 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.