SCHEMBL3735304

SCHEMBL3735304

COC(=O)[C@H](COCc1cccc(OCC2COC(C)(C)O2)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 5/20 0.49
KLK5 Q9Y337 5/20 0.49
CACNA1B Q00975 2/20 0.44
PPARA Q07869 2/20 0.43
CTSS P25774 1/20 0.41
PPARG P37231 1/20 0.40
RAB9A P51151 1/20 0.38
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN1 P18031 4/20 0.36
CDC25B P30305 4/20 0.36
PTPN2 P17706 3/20 0.36
CDC25A P30304 2/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
MAPK14 Q16539 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
SCHEMBL3735307 1.00 KLK7 (0.49) KLK7KLK5CACNA1BPPARACTSS
SCHEMBL3740165 0.93 PPARA (0.52) KLK7KLK5CACNA1BPPARACTSS
SCHEMBL3734969 0.81 ITGB3 (0.46) KLK5CACNA1BCTSSPPARGMEN1
SCHEMBL3734975 0.81 ITGB3 (0.46) KLK5CACNA1BCTSSPPARGMEN1
SCHEMBL212186 0.77 PPARA (0.49) KLK7KLK5PPARACTSSPPARG
SCHEMBL2727081 0.77 PPARA (0.49) KLK7KLK5PPARACTSSPPARG
SCHEMBL20356712 0.74 ALDH1A1 (0.46) ALDH1A1MAPK14
SCHEMBL20356605 0.74 ALDH1A1 (0.46) ALDH1A1MAPK14
SCHEMBL6582973 0.74 MAPK14 (0.44) ALDH1A1MAPK14
SCHEMBL6582978 0.74 MAPK14 (0.44) ALDH1A1MAPK14

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 KLK7 1782/4885KLK5 2468/4885CACNA1B 212/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 KLK7 1782/4885KLK5 2468/4885CACNA1B 212/4885

“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.