SCHEMBL2496546

SCHEMBL2496546

Cn1ccnc1CC(Cc1ccc(S(N)(=O)=O)cc1)NCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.42
CA1 P00915 17/20 0.42
CA12 O43570 5/20 0.39
CA9 Q16790 5/20 0.39
CA14 Q9ULX7 4/20 0.39
CA4 P22748 3/20 0.39
CA6 P23280 3/20 0.39
CA5A P35218 3/20 0.39
CA7 P43166 3/20 0.39
CA13 Q8N1Q1 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA3 P07451 1/20 0.37

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
SCHEMBL19214747 0.78 FDPS (0.38) SMN1; SMN2
SCHEMBL2476272 0.77 CA2 (0.50) CA2CA1CA12CA9CA14
SCHEMBL2839024 0.73 CA2 (0.45) CA2CA1CA12CA9CA14
SCHEMBL2496547 0.70 CA1 (0.48) CA2CA1CA12CA9CA4
SCHEMBL18158058 0.69 SMN1; SMN2 (0.39) KDM4ESMN1; SMN2
SCHEMBL15817505 0.69 CA2 (0.46) CA2CA1CA12CA9CA14
SCHEMBL2833270 0.67 CA2 (0.48) CA2CA1CA12CA9CA14
SCHEMBL15199005 0.65 CA1 (0.53) CA2CA1CA12CA9CA14
SCHEMBL10509611 0.64 MME (0.53)
SCHEMBL690633 0.64 GRIK1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9433594-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-09-06 US disclosed
US-20160222036-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-08-04 US disclosed
EP-2706057-B1 Bis(imidazolyl)compounds and radionuclide complexes MOLECULAR INSIGHT PHARM INC (US) 2016-04-20 EP disclosed
US-8962799-B2 Technetium—and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-20140341805-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-20 US disclosed
EP-2759535-A1 CA-IX specific radiopharmaceuticals for the treatment and imaging of cancer Molecular Insight Pharmaceuticals, Inc. (US) 2014-07-30 EP disclosed
US-20140179902-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-06-26 US disclosed
EP-2706057-A1 Bis(imidazolyl)compounds and radionuclide complexes Molecular Insight Pharmaceuticals, Inc. (US) 2014-03-12 EP disclosed
US-8562945-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2013-10-22 US disclosed
EP-2373621-A2 TECHNETIUM-AND RHENIUM-BIS(HETEROARYL)COMPLEXES AND METHODS OF USE THEREOF Molecular Insight Pharmaceuticals, Inc. (US) 2011-10-12 EP disclosed
EP-2373622-A2 CA-IX SPECIFIC RADIOPHARMACEUTICALS FOR THE TREATMENT AND IMAGING OF CANCER Molecular Insight Pharmaceuticals, Inc. (US) 2011-10-12 EP disclosed
US-20100183509-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-07-22 US disclosed
WO-2010065906-A2 CA-IX SPECIFIC RADIOPHARMACEUTICALS FOR THE TREATMENT AND IMAGING OF CANCER MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed
WO-2010065899-A2 TECHNETIUM-AND RHENIUM-BIS(HETEROARYL)COMPLEXES AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-06-10 WO 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 (4 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-20140341805-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF RAB35, SLC39A14, SLC39A3 CA2 2206/4885CA1 772/4885CA12 899/4885
US-20140179902-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF SSTR5, SSTR3, SSTR4 CA2 1537/4885CA1 445/4885CA12 1342/4885
US-20160222036-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF RAB35, SLC39A14, SLC39A3 CA2 2206/4885CA1 772/4885CA12 899/4885
US-20100183509-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF SSTR5, SSTR3, SSTR4 CA2 1537/4885CA1 445/4885CA12 1342/4885

“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.