SCHEMBL3734541

SCHEMBL3734541

CC(C)(C)OC(=O)NC(COCc1cccc(OCCF)c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.62
PPARG P37231 3/20 0.58
CTSS P25774 3/20 0.52
ACE P12821 1/20 0.48
PTPN1 P18031 6/20 0.47
KLK7 P49862 2/20 0.47
KLK5 Q9Y337 2/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
CACNA1B Q00975 1/20 0.44
CDC25B P30305 4/20 0.43
PTPN2 P17706 3/20 0.43
CDC25A P30304 2/20 0.43
PTPN6 P29350 1/20 0.43
PTPN11 Q06124 1/20 0.43
CTSK P43235 2/20 0.43
FOLH1 Q04609 1/20 0.43
RAB9A P51151 1/20 0.42
CTSB P07858 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL3734538 1.00 PPARA (0.62) PPARAPPARGCTSSACEPTPN1
SCHEMBL14058124 0.86 PPARA (0.69) PPARAPPARGCTSSACEPTPN1
SCHEMBL14058126 0.86 PPARA (0.69) PPARAPPARGCTSSACEPTPN1
SCHEMBL4997387 0.83 PPARA (0.70) PPARAPPARGCTSSACEPTPN1
SCHEMBL4997399 0.83 PPARA (0.70) PPARAPPARGCTSSACEPTPN1
SCHEMBL14056987 0.82 PPARA (0.71) PPARAPPARGCTSSACEPTPN1
SCHEMBL14056985 0.82 PPARA (0.71) PPARAPPARGCTSSACEPTPN1
SCHEMBL3741079 0.81 PPARA (0.52) PPARAPPARGCTSSACEPTPN1
SCHEMBL828674 0.81 PPARA (0.90) PPARAPPARGCTSSACEPTPN1
SCHEMBL1132901 0.81 PPARA (0.90) PPARAPPARGCTSSACEPTPN1

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 4068/4885CTSS 1377/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 PPARA 4366/4885PPARG 4068/4885CTSS 1377/4885

“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.