SCHEMBL244141

SCHEMBL244141

COc1ccc([I+]c2ccc(OC)cc2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
PKM P14618 1/20 0.48
ALDH1A1 P00352 3/20 0.48
BCHE P06276 1/20 0.48
RAPGEF4 Q8WZA2 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
EGFR P00533 1/20 0.43
TP53 P04637 1/20 0.43
FFAR4 Q5NUL3 2/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43

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
SCHEMBL11146525 1.00 ACHE (0.50) ACHEPKMALDH1A1BCHERAPGEF4
SCHEMBL760068 0.94 LMNA (0.49) ACHEPKMALDH1A1BCHERAPGEF4
Toliodium SCHEMBL2895871 0.88 GAA (0.50) ACHEPKMALDH1A1RAPGEF4LMNA
SCHEMBL3759299 0.87 ALDH1A1 (0.47) ACHEALDH1A1BCHELMNAEGFR
SCHEMBL2896059 0.85 ALDH1A1 (0.48) PKMALDH1A1MEN1KMT2ALMNA
SCHEMBL2634849 0.85 ALDH1A1 (0.50) PKMALDH1A1MEN1KMT2ALMNA
SCHEMBL13401281 0.84 ACHE (0.71) ACHEALDH1A1KMT2ALMNAMAPT
SCHEMBL7903612 0.83 HSD11B1 (0.48) ACHEPKMALDH1A1MEN1KMT2A
SCHEMBL31622746 0.83 CYP1A2 (0.47) ACHEALDH1A1MEN1KMT2ALMNA
SCHEMBL11146478 0.81 HTT (0.62) ALDH1A1MEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3284736-B1 FLUORINATION OF AROMATIC RING SYSTEMS NUTECH VENTURES (US) 2021-03-03 EP disclosed
EP-3284736-A1 FLUORINATION OF AROMATIC RING SYSTEMS NUtech Ventures (US) 2018-02-21 EP disclosed
EP-2537826-B1 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2017-03-08 EP disclosed
US-9302990-B2 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2016-04-05 US disclosed
EP-2726446-A2 FLUORINATION OF AROMATIC RING SYSTEMS Nutech Ventures (US) 2014-05-07 EP disclosed
US-8604213-B2 Fluorination of aromatic ring systems NUTECH VENTURES (US) 2013-12-10 US disclosed
US-8377704-B2 Detection and quantification of anions NUTECH VENTURES (US) 2013-02-19 US disclosed
WO-2013003734-A2 FLUORINATION OF AROMATIC RING SYSTEMS NUTECH VENTURES (US) 2013-01-03 WO disclosed
EP-2537826-A1 Fluorination of aromatic ring systems Nutech Ventures (US) 2012-12-26 EP disclosed
US-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS NATIONAL SCIENCE FOUNDATION 2012-01-05 US disclosed
US-20110313170-A1 Fluorination of Aromatic Ring Systems BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2011-12-22 US disclosed
EP-2349977-A2 FLUORINATION OF AROMATIC RING SYSTEMS The Board of Regents of the University of Nebraska (US) 2011-08-03 EP disclosed
US-20110091982-A1 Detection and Quantification of Anions NUTECH VENTURES 2011-04-21 US disclosed
US-7759045-B2 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-20 US disclosed
WO-2010048170-A2 FLUORINATION OF AROMATIC RING SYSTEMS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2010-04-29 WO disclosed
US-20090004601-A1 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-01 US disclosed
US-6893794-B2 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-20040018445-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-01-29 US disclosed
US-20030068573-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-10 US 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-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS PFAS, SLC43A1, DDC ACHE 3064/4885PKM 1026/4885ALDH1A1 2774/4885
US-20110313170-A1 Fluorination of Aromatic Ring Systems PFAS, SLC43A1, DDC ACHE 3064/4885PKM 1026/4885ALDH1A1 2774/4885

“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.