SCHEMBL3729929

SCHEMBL3729929

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

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.59
CTSK P43235 5/20 0.59
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50
NOS2 P35228 2/20 0.50
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
TSHR P16473 1/20 0.49
MDM4 O15151 1/20 0.49
MDM2 Q00987 1/20 0.49
KLK5 Q9Y337 1/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
REN P00797 1/20 0.46
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PSMB5 P28074 2/20 0.44

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
SCHEMBL3729927 1.00 CTSS (0.59) CTSSCTSKNOS3NOS1NOS2
SCHEMBL3729928 1.00 CTSS (0.59) CTSSCTSKNOS3NOS1NOS2
SCHEMBL22191069 0.92 CTSS (0.67) CTSSCTSKTSHRMDM4MDM2
SCHEMBL22191071 0.92 CTSS (0.67) CTSSCTSKTSHRMDM4MDM2
SCHEMBL22201737 0.92 CTSS (0.67) CTSSCTSKTSHRMDM4MDM2
SCHEMBL3772405 0.92 CTSS (0.57) CTSSCTSKPPARGPPARACTSL
SCHEMBL3772403 0.92 CTSS (0.57) CTSSCTSKPPARGPPARACTSL
SCHEMBL13012191 0.92 CTSS (0.57) CTSSCTSKPPARGPPARACTSL
SCHEMBL1741898 0.91 NOS3 (0.57) CTSSCTSKNOS3NOS1NOS2
SCHEMBL1741897 0.91 NOS3 (0.57) CTSSCTSKNOS3NOS1NOS2

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 6 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
CN-101679318-A Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Linkage Chemistry SIEMENS MEDICAL SOLUTIONS 2010-03-24 CN 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

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 1144/4885NOS3 2024/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 CTSS 1377/4885CTSK 1144/4885NOS3 2024/4885

“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.