SCHEMBL1571535

SCHEMBL1571535

COc1ccc(CC(N)C(=O)O)c(I)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCNA P12004 2/20 0.51
THRB P10828 9/20 0.49
THRA P10827 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
LMNA P02545 4/20 0.49
PPARG P37231 4/20 0.49
NR1I2 O75469 2/20 0.49
AGTR2 P50052 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
ABCB11 O95342 1/20 0.49
F2 P00734 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
ADORA1 P30542 1/20 0.49

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
SCHEMBL1571537 1.00 PCNA (0.51) PCNATHRBTHRAMEN1KMT2A
SCHEMBL13957558 0.84 HSD17B10 (0.45) THRBMEN1KMT2ALMNANPSR1
SCHEMBL29519833 0.84 HSD17B10 (0.49) THRBMEN1KMT2ALMNANPSR1
SCHEMBL7302384 0.84 HTT (0.46) THRBTHRAMEN1KMT2ALMNA
SCHEMBL188397 0.83 PCNA (0.66) PCNATHRBTHRAMEN1KMT2A
SCHEMBL30693721 0.83 PCNA (0.66) PCNATHRBTHRAMEN1KMT2A
Hydrochloric Acid SCHEMBL8862614 0.82 HSD17B10 (0.48) MEN1KMT2AHSD17B10CYP2C9USP2
SCHEMBL2898766 0.82 KIF11 (0.52) THRBMEN1KMT2ALMNANPSR1
SCHEMBL7997958 0.82 USP2 (0.44) THRBMEN1KMT2ALMNANPSR1
SCHEMBL31329367 0.82 KIF11 (0.52) THRBMEN1KMT2ALMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178302-A1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-21 US claimed
EP-2307337-A2 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS The Regents Of The University Of California (US) 2011-04-13 EP claimed
WO-2010008522-A2 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-21 WO claimed
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 PCNA 1933/4885THRB 1110/4885THRA 2566/4885

“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.