SCHEMBL3727799

SCHEMBL3727799

Cc1ccc(S(=O)(=O)OCc2cccc(OCC3COC(C)(C)O3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
MAPK14 Q16539 11/20 0.41
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL20356712 0.81 ALDH1A1 (0.46) CA2MAPK14CCNKCDK12ALDH1A1
SCHEMBL20356605 0.81 ALDH1A1 (0.46) CA2MAPK14CCNKCDK12ALDH1A1
SCHEMBL411517 0.80 CA2 (0.58) CA2MAPK14ALDH1A1TP53CYP3A4
SCHEMBL898388 0.80 CA2 (0.58) CA2MAPK14ALDH1A1TP53CYP3A4
SCHEMBL562062 0.80 CA2 (0.58) CA2MAPK14ALDH1A1TP53CYP3A4
SCHEMBL16180161 0.78 ALDH1A1 (0.50) CA2MAPK14CCNKCDK12ALDH1A1
SCHEMBL4437467 0.78 MAPK14 (0.39) CA2MAPK14ALDH1A1TP53CYP3A4
SCHEMBL3742916 0.77 TSHR (0.47) CA2MAPK14CCNKCDK12ALDH1A1
SCHEMBL3727801 0.77 MAPK14 (0.39) CA2MAPK14CCNKCDK12ALDH1A1
SCHEMBL6583458 0.76 TMEM97 (0.45) MAPK14ALDH1A1TP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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-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
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
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 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 (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 9/4885MAPK14 2974/4885CCNK 3590/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 CA2 9/4885MAPK14 2974/4885CCNK 3590/4885

“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.