SCHEMBL3740165

SCHEMBL3740165

CC(C)(C)OC(=O)N[C@@H](COCc1cccc(OCC2COC(C)(C)O2)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.52
PPARG P37231 2/20 0.49
KLK7 P49862 4/20 0.47
KLK5 Q9Y337 3/20 0.47
CTSS P25774 1/20 0.44
PTPN1 P18031 6/20 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
CACNA1B Q00975 1/20 0.41
RAB9A P51151 1/20 0.40
ACE P12821 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL3735304 0.93 KLK7 (0.49) PPARAPPARGKLK7KLK5CTSS
SCHEMBL3735307 0.93 KLK7 (0.49) PPARAPPARGKLK7KLK5CTSS
SCHEMBL212186 0.79 PPARA (0.49) PPARAPPARGKLK7KLK5CTSS
SCHEMBL2727081 0.79 PPARA (0.49) PPARAPPARGKLK7KLK5CTSS
SCHEMBL14058126 0.78 PPARA (0.69) PPARAPPARGKLK7KLK5CTSS
SCHEMBL14058124 0.78 PPARA (0.69) PPARAPPARGKLK7KLK5CTSS
SCHEMBL3734541 0.78 PPARA (0.62) PPARAPPARGKLK7KLK5CTSS
SCHEMBL3734538 0.78 PPARA (0.62) PPARAPPARGKLK7KLK5CTSS
SCHEMBL3741079 0.77 PPARA (0.52) PPARAPPARGKLK7KLK5CTSS
SCHEMBL3739946 0.76 PPARA (0.51) PPARAPPARGKLK7KLK5CTSS

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 7 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
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

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 4366/4885PPARG 4068/4885KLK7 1782/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 PPARA 4366/4885PPARG 4068/4885KLK7 1782/4885

“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.