SCHEMBL668193

SCHEMBL668193

FC(F)(F)c1ccc(COCc2ccc(Br)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.57
KMT2A Q03164 1/20 0.49
MAOB P27338 6/20 0.47
PTPN1 P18031 3/20 0.45
PTPN2 P17706 1/20 0.45
PTPN6 P29350 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
TACR1 P25103 1/20 0.42
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL492736 0.89 IDO1 (0.68) IDO1KMT2AMAOBPTPN1PTPN2
Hydroxyamine SCHEMBL8924228 0.83 IDO1 (0.67) IDO1KMT2AMAOBPTPN1PTPN2
SCHEMBL21568941 0.83 MAOB (0.70) IDO1MAOBPTPN1PTPN2PTPN6
SCHEMBL9342895 0.82 IDO1 (0.64) IDO1KMT2AMAOBTAAR1
SCHEMBL649020 0.82 IDO1 (0.64) IDO1KMT2AMAOBTAAR1
SCHEMBL23454355 0.82 ALDH1A1 (0.58) IDO1KMT2AMAOBPTPN1PTPN2
SCHEMBL3042346 0.81 SRD5A2 (0.50) IDO1KMT2AMAOBTAAR1ALDH1A1
SCHEMBL5780375 0.80 IDO1 (0.57) IDO1KMT2AMAOBTAAR1TACR1
SCHEMBL8909 0.80 TRPV1 (0.50) PTPN1TAAR1ALDH1A1
SCHEMBL6498113 0.79 SLC6A4 (0.49) IDO1KMT2APTPN1ALDH1A1

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 10 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
WO-2012024564-A1 FLUOROALKYLATION METHODS AND REAGENTS THE BOARD OF TRUSTESS OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-23 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-20130225815-A1 Fluoroalkylation Methods And Reagents ALK, AFF4, AFF2 IDO1 4246/4885KMT2A 1991/4885MAOB 680/4885
US-20160185691-A1 One-Component Reagent for the Fluoroalkylation Reaction AOC1, AOC3, AOC2 IDO1 2884/4885KMT2A 3533/4885MAOB 331/4885

“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.