SCHEMBL669783

SCHEMBL669783

O=[N+]([O-])c1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA5A P35218 2/20 0.53
CA9 Q16790 2/20 0.53
HSD11B1 P28845 1/20 0.49
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ACHE P22303 1/20 0.43
KIF11 P52732 2/20 0.41
LMNA P02545 1/20 0.41
CES1 P23141 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
HSPB1 P04792 1/20 0.40
RORC P51449 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL3145040 0.94 CA2 (0.51) CA1CA2CA5ACA9HSD11B1
SCHEMBL27171605 0.90 CA1 (0.55) CA1CA2CA5ACA9HSD11B1
SCHEMBL4973441 0.88 CA1 (0.56) CA1CA2CA5ACA9HSD11B1
SCHEMBL445417 0.88 CA1 (0.56) CA1CA2CA5ACA9HSD11B1
SCHEMBL6050906 0.79 CA1 (0.56) CA1CA2CA5ACA9HSD11B1
SCHEMBL16046946 0.79 CA1 (0.56) CA1CA2CA5ACA9HSD11B1
SCHEMBL10353208 0.79 CA1 (0.45) CA1CA2CA5ACA9HSD11B1
SCHEMBL439543 0.79 CA1 (0.60) CA1CA2CA5ACA9HSD11B1
SCHEMBL24710566 0.78 TSHR (0.53) ALDH1A1ACHEKIF11LMNACES1
SCHEMBL10353209 0.78 CA1 (0.44) CA1CA2CA5ACA9HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758453-B2 One-component reagent for the fluoroalkylation reaction THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-09-12 US disclosed
US-9758453-B2 One-component reagent for the fluoroalkylation reaction THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-09-12 US disclosed
US-20160185691-A1 One-Component Reagent for the Fluoroalkylation Reaction THE BOARD OF TRUSTEES OF THE UNIVERSITY OF LLLINOIS (US) 2016-06-30 US disclosed
US-20160185691-A1 One-Component Reagent for the Fluoroalkylation Reaction THE BOARD OF TRUSTEES OF THE UNIVERSITY OF LLLINOIS (US) 2016-06-30 US disclosed
US-9193648-B2 Fluoroalkylation methods and reagents BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-11-24 US disclosed
US-9193648-B2 Fluoroalkylation methods and reagents BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-11-24 US disclosed
US-20130225815-A1 Fluoroalkylation Methods And Reagents THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-08-29 US disclosed
US-20130225815-A1 Fluoroalkylation Methods And Reagents THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-08-29 US disclosed
EP-2606048-A1 FLUOROALKYLATION METHODS AND REAGENTS The Board of Trustees of the University of Illinois (US) 2013-06-26 EP disclosed
CN-101745495-B Method for inhibiting non-specific adsorption on solid material surface CHINESE ACAD TECH INST PHYSICS 2012-04-25 CN disclosed
WO-2012024564-A1 FLUOROALKYLATION METHODS AND REAGENTS THE BOARD OF TRUSTESS OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-23 WO disclosed
CN-101745495-A Method for inhibiting non-specific adsorption on solid material surface CHINESE ACAD TECH INST PHYSICS 2010-06-23 CN 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-20130225815-A1 Fluoroalkylation Methods And Reagents ALK, AFF4, AFF2 CA1 2394/4885CA2 593/4885CA5A 2246/4885
US-20160185691-A1 One-Component Reagent for the Fluoroalkylation Reaction AOC1, AOC3, AOC2 CA1 2803/4885CA2 2814/4885CA5A 3044/4885

“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.