SCHEMBL3741079

SCHEMBL3741079

CC(C)(C)OC(=O)N[C@@H](COCc1cccc(OCCOC2CCCCO2)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.52
KLK7 P49862 4/20 0.49
KLK5 Q9Y337 3/20 0.49
PPARG P37231 1/20 0.49
CACNA1B Q00975 2/20 0.47
CTSS P25774 1/20 0.44
PTPN1 P18031 5/20 0.42
CDC25B P30305 4/20 0.42
PTPN2 P17706 3/20 0.42
CDC25A P30304 2/20 0.42
PTPN6 P29350 1/20 0.42
PTPN11 Q06124 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ACE P12821 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
SCHEMBL3739946 0.98 PPARA (0.51) PPARAKLK7KLK5PPARGCACNA1B
SCHEMBL3734541 0.81 PPARA (0.62) PPARAKLK7KLK5PPARGCACNA1B
SCHEMBL3734538 0.81 PPARA (0.62) PPARAKLK7KLK5PPARGCACNA1B
SCHEMBL14058126 0.78 PPARA (0.69) PPARAKLK7KLK5PPARGCACNA1B
SCHEMBL14058124 0.78 PPARA (0.69) PPARAKLK7KLK5PPARGCACNA1B
SCHEMBL3740165 0.77 PPARA (0.52) PPARAKLK7KLK5PPARGCACNA1B
SCHEMBL17457748 0.76 CTSK (0.46) PPARAKLK7KLK5PPARGCACNA1B
SCHEMBL1195750 0.76 CTSK (0.46) PPARAKLK7KLK5PPARGCACNA1B
SCHEMBL8306861 0.76 CTSK (0.46) PPARAKLK7KLK5PPARGCACNA1B
SCHEMBL3373872 0.75 MEN1 (0.53) CTSSMEN1KMT2ARAB9AITGB3

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 9 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
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-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
EP-2129666-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY Siemens Medical Solutions USA, Inc. (US) 2009-12-09 EP 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
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 PPARA 4366/4885KLK7 1782/4885KLK5 2468/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 PPARA 4366/4885KLK7 1782/4885KLK5 2468/4885

“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.