SCHEMBL585379

SCHEMBL585379

CCOC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)c(OC(=O)OC(C)(C)C)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
TACR1 P25103 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
CTSS P25774 9/20 0.44
CTSK P43235 8/20 0.44
CTSB P07858 4/20 0.44
ACE P12821 1/20 0.43
KLK5 Q9Y337 1/20 0.42
EPHX2 P34913 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL4739186 0.88 ACE (0.52) CTSSCTSKCTSBACEPPARG
SCHEMBL4801481 0.88 ACE (0.52) CTSSCTSKCTSBACEPPARG
SCHEMBL4117611 0.87 REN (0.46) CTSSCTSKCTSBACEPPARG
SCHEMBL4117607 0.87 REN (0.46) CTSSCTSKCTSBACEPPARG
SCHEMBL17709322 0.86 SCN9A (0.46) SCN9ACYP1A2CYP2C9CYP2C19HTT
SCHEMBL26017394 0.85 DRD1 (0.49) ALDH1A1MAPTTACR1
SCHEMBL1214530 0.84 DRD1 (0.42) SCN9ATACR1CTSSCTSKCTSB
SCHEMBL15962596 0.83 SCN9A (0.51) SCN9ACYP1A2CYP2C9CYP2C19HTT
SCHEMBL5312623 0.82 CYP1A2 (0.49) SCN9ACYP1A2CYP2C9CYP2C19HTT
SCHEMBL1218073 0.82 DRD1 (0.41) SCN9AALDH1A1MAPTTACR1KDM4E

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 10 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 disclosed
EP-2307337-B1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS UNIV CALIFORNIA (US) 2016-01-13 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-8674101-B2 Nucleophilic fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-18 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
US-20110178302-A1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-21 US disclosed
EP-2307337-A2 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS The Regents Of The University Of California (US) 2011-04-13 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
WO-2010008522-A2 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-21 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-20120123120-A1 No-Carrier-Added Nucleophilic [F-18] Fluorination of Aromatic Compounds SLC18A1, SLC18A2, SLC6A2 SCN9A 1056/4885CYP1A2 765/4885CYP2C9 522/4885
US-20110178302-A1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS SLC18A2, AFF4, SLC6A19 SCN9A 1657/4885CYP1A2 1813/4885CYP2C9 2236/4885

“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.