SCHEMBL1571749

SCHEMBL1571749

CCOC(=O)[C@H](Cc1cc(OC(=O)OC(C)(C)C)c(OC(=O)OC(C)(C)C)cc1I(=O)=O)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.47
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
TACR1 P25103 2/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSS P25774 4/20 0.35
CTSK P43235 4/20 0.35
EPHX2 P34913 1/20 0.35
ACE P12821 1/20 0.34

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
SCHEMBL584547 0.85 SCN9A (0.49) SCN9ACYP1A2CYP2C9CYP2C19HTT
SCHEMBL585379 0.80 SCN9A (0.47) SCN9ACYP1A2CYP2C9CYP2C19HTT
SCHEMBL17071630 0.79 KLK5 (0.43) SCN9ACYP1A2CYP2C9CYP2C19HTT
SCHEMBL12035787 0.76 MTNR1A (0.46) SCN9ATACR1CTSSCTSKEPHX2
SCHEMBL13352198 0.76 MTNR1A (0.46) SCN9ATACR1MAPTSMN1; SMN2CTSS
SCHEMBL17061439 0.76 MTNR1A (0.46) SCN9ATACR1ALDH1A1MAPTCTSS
SCHEMBL15962599 0.75 SCN9A (0.51) SCN9ACYP1A2CYP2C9CYP2C19HTT
SCHEMBL4651817 0.74 KLK5 (0.41) SCN9ACYP1A2CYP2C9CYP2C19HTT
SCHEMBL17118205 0.74 MTNR1A (0.51) SCN9ACYP1A2CYP2C9CYP2C19HTT
SCHEMBL29361110 0.73 SCN9A (0.50) SCN9ACYP1A2CYP2C9CYP2C19HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307337-B1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS UNIV CALIFORNIA (US) 2016-01-13 EP disclosed
US-8674101-B2 Nucleophilic fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-18 US 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-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 (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-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.