SCHEMBL3735628

SCHEMBL3735628

CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.63
CTSK P43235 5/20 0.63
PPARA Q07869 2/20 0.58
PPARG P37231 1/20 0.58
ACE P12821 4/20 0.52
MME P08473 2/20 0.52
CPA1 P15085 2/20 0.52
ACE2 Q9BYF1 2/20 0.52
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
REN P00797 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
PTPN1 P18031 1/20 0.48
FPR2 P25090 1/20 0.47

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
SCHEMBL3735627 1.00 CTSS (0.63) CTSSCTSKPPARAPPARGACE
SCHEMBL22962065 0.92 ACE (0.61) CTSSCTSKPPARAPPARGACE
SCHEMBL28630396 0.92 CTSS (0.72) CTSSCTSKPPARAPPARGACE
SCHEMBL1519728 0.91 PPARA (0.67) CTSSCTSKPPARAPPARGACE
SCHEMBL3556235 0.91 PPARA (0.67) CTSSCTSKPPARAPPARGACE
SCHEMBL441305 0.91 PPARA (0.67) CTSSCTSKPPARAPPARGACE
SCHEMBL3729928 0.90 CTSS (0.59) CTSSCTSKPPARAPPARGCTSL
SCHEMBL3729927 0.90 CTSS (0.59) CTSSCTSKPPARAPPARGCTSL
SCHEMBL3729929 0.90 CTSS (0.59) CTSSCTSKPPARAPPARGCTSL
SCHEMBL29824479 0.89 CTSS (0.68) CTSSCTSKPPARAPPARGACE

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 CTSS 1377/4885CTSK 1144/4885PPARA 4366/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 CTSS 1377/4885CTSK 1144/4885PPARA 4366/4885

“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.