SCHEMBL584495

SCHEMBL584495

CC(C)(C)OC(=O)N[C@@H](Cc1cc(OC(=O)OC(C)(C)C)c(OC(=O)OC(C)(C)C)cc1I)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.47
ACE P12821 2/20 0.47
CTSS P25774 7/20 0.42
CTSK P43235 7/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
PTPN1 P18031 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PPARA Q07869 5/20 0.40
PPARG P37231 4/20 0.40
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
CTSL P07711 1/20 0.39
PPARD Q03181 2/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL13352198 0.90 MTNR1A (0.46) SCN9AACECTSSCTSKMTNR1A
SCHEMBL18833348 0.88 MTNR1A (0.51) SCN9AACECTSSCTSKITGB3
SCHEMBL17101171 0.88 MTNR1A (0.51) SCN9AACECTSSCTSKITGB3
SCHEMBL584547 0.88 SCN9A (0.49) SCN9AACECTSSCTSKMTNR1A
SCHEMBL29641595 0.82 ACE (0.53) ACECTSSCTSKITGB3ITGA2B
SCHEMBL29286179 0.80 ACE (0.52) SCN9AACECTSSCTSKITGB3
SCHEMBL26136049 0.80 ACE (0.52) SCN9AACECTSSCTSKITGB3
SCHEMBL29286180 0.80 ACE (0.52) SCN9AACECTSSCTSKITGB3
SCHEMBL17061439 0.78 MTNR1A (0.46) SCN9AACECTSSCTSKMTNR1A
SCHEMBL17071630 0.77 KLK5 (0.43) SCN9AACECTSSCTSKCTSL

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
EP-2417119-B1 NO-CARRIER-ADDED NUCLEOPHILIC ÝF-18¨FLUORINATION OF AROMATIC COMPOUNDS UNIV CALIFORNIA (US) 2016-12-21 EP claimed
EP-2417119-B1 NO-CARRIER-ADDED NUCLEOPHILIC ÝF-18¨FLUORINATION OF AROMATIC COMPOUNDS UNIV CALIFORNIA (US) 2016-12-21 EP disclosed
US-8742139-B2 No-carrier-added nucleophilic [F-18] fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-06-03 US disclosed
US-20120123120-A1 No-Carrier-Added Nucleophilic [F-18] Fluorination of Aromatic Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-17 US disclosed
EP-2417119-A2 NO-CARRIER-ADDED NUCLEOPHILIC ÝF-18¨FLUORINATION OF AROMATIC COMPOUNDS The Regents of The University of California (US) 2012-02-15 EP disclosed
WO-2010117435-A2 NO-CARRIER-ADDED NUCLEOPHILIC [F-18] FLUORINATION OF AROMATIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-14 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 (1 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-20120123120-A1 No-Carrier-Added Nucleophilic [F-18] Fluorination of Aromatic Compounds SLC18A1, SLC18A2, SLC6A2 SCN9A 1056/4885ACE 2462/4885CTSS 1324/4885

“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.