SCHEMBL1572001

SCHEMBL1572001

COc1ccc(C[C@H]2C(=O)N(C)[C@H](C(C)(C)C)N2C(=O)OC(C)(C)C)c(I)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
P2RX3 P56373 1/20 0.33
STS P08842 2/20 0.33
MMP1 P03956 2/20 0.32
MMP9 P14780 2/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ROCK2 O75116 1/20 0.32
MMP13 P45452 1/20 0.32
HIF1A Q16665 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL15576931 1.00 EPHX2 (0.36) EPHX2ALDH1A1MAPTP2RX3STS
SCHEMBL25329824 0.88 FPR2 (0.33) MTNR1AMTNR1BROCK2
SCHEMBL25911067 0.88 FPR2 (0.33) MTNR1AMTNR1BROCK2
SCHEMBL30492183 0.80 USP30 (0.40) MAPT
SCHEMBL25911089 0.80 USP30 (0.40) MAPT
SCHEMBL25910990 0.80 USP30 (0.40) MAPT
SCHEMBL25911105 0.80 USP30 (0.40) MAPT
SCHEMBL25911456 0.78 CDK1 (0.32)
SCHEMBL3702777 0.78 TLR9 (0.36) ALDH1A1MAPTHDAC8MEN1KMT2A
SCHEMBL25329083 0.75 CAPN1 (0.32) ALDH1A1MAPTMEN1KMT2A

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 EPHX2 1157/4885ALDH1A1 2811/4885MAPT 2189/4885

“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.