SCHEMBL242690

SCHEMBL242690

COc1ccc([I+](OC(=O)C(F)(F)F)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
GAA P10253 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
PARP1 P09874 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP4 Q9UKK3 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ACHE P22303 1/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL761110 0.94 CES2 (0.44) CES2CES1CA1CA2GAA
SCHEMBL1834219 0.85 KMT2A (0.45) GAASMN1; SMN2RAB9AALDH1A1
SCHEMBL10907991 0.82 CA2 (0.38) CES2CES1CA1CA2SMN1; SMN2
SCHEMBL318070 0.80 MAPT (0.38) CES2CES1CA1CA2GAA
SCHEMBL1835868 0.80 CNR2 (0.40) GAASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10492099 0.80 HDAC1 (0.44) PDK1PDK2PDK3PDK4PARP10
SCHEMBL1002371 0.79 TRPV1 (0.38) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL107377 0.78 CES1 (0.42) CES2CES1ACHE
SCHEMBL10584041 0.77 LTA4H (0.42) PARP10SMN1; SMN2NPC1RAB9A
SCHEMBL3167320 0.76 RAB9A (0.41) GAARAB9AALDH1A1

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 14 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
WO-2010048170-A2 FLUORINATION OF AROMATIC RING SYSTEMS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2010-04-29 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-20120004417-A1 FLUORINATION OF AROMATIC RING SYSTEMS PFAS, SLC43A1, DDC CES2 1207/4885CES1 3673/4885CA1 3898/4885
US-20110313170-A1 Fluorination of Aromatic Ring Systems PFAS, SLC43A1, DDC CES2 1207/4885CES1 3673/4885CA1 3898/4885

“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.