SCHEMBL3734969

SCHEMBL3734969

COC(=O)C(Cc1ccc(OC[C@H]2COC(C)(C)O2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
YAP1 P46937 1/20 0.43
KLK5 Q9Y337 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
PTPN1 P18031 2/20 0.42
BCL2 P10415 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PPARG P37231 1/20 0.40
CACNA1B Q00975 1/20 0.40
CTSS P25774 5/20 0.39
CTSK P43235 4/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3734975 1.00 ITGB3 (0.46) ITGB3ITGA2BYAP1KLK5HDAC8
SCHEMBL3743749 0.90 ITGB3 (0.48) ITGB3ITGA2BYAP1KLK5HDAC8
SCHEMBL3743755 0.90 ITGB3 (0.48) ITGB3ITGA2BYAP1KLK5HDAC8
SCHEMBL14046671 0.85 ITGB3 (0.44) ITGB3ITGA2BYAP1KLK5HDAC8
SCHEMBL13012168 0.85 HDAC8 (0.39) ITGB3ITGA2BHDAC8BCL2PPARG
SCHEMBL4221693 0.83 ITGB3 (0.47) ITGB3ITGA2BYAP1HDAC8PTPN1
SCHEMBL3735304 0.81 KLK7 (0.49) KLK5PTPN1KMT2AMEN1ALDH1A1
SCHEMBL3735307 0.81 KLK7 (0.49) KLK5PTPN1KMT2AMEN1ALDH1A1
SCHEMBL3498974 0.81 YAP1 (0.53) ITGB3ITGA2BYAP1KLK5HDAC8
SCHEMBL3498976 0.81 YAP1 (0.53) ITGB3ITGA2BYAP1KLK5HDAC8

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 ITGB3 3152/4885ITGA2B 2748/4885YAP1 4574/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 ITGB3 3152/4885ITGA2B 2748/4885YAP1 4574/4885

“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.