SCHEMBL668802

SCHEMBL668802

O=C(O)n1ccc2cc(C(F)(F)C(F)(F)C(F)(F)F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.35
S1PR1 P21453 1/20 0.35
PPARD Q03181 3/20 0.34
PPARA Q07869 2/20 0.34
TFPI2 P48307 2/20 0.34
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNH2 Q12809 1/20 0.32
KDR P35968 1/20 0.32
NOTUM Q6P988 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL668763 0.84 PIM1 (0.43) OXER1S1PR1PPARDPPARAKCNH2
SCHEMBL17674406 0.73 TFPI2 (0.55) OXER1TFPI2TSHRRAB9AL3MBTL1
SCHEMBL2651525 0.72 PIM1 (0.47) PPARDPPARATFPI2TUBB1
SCHEMBL4379598 0.69 MCL1 (0.47) OXER1TFPI2TSHRRAB9AL3MBTL1
SCHEMBL29746616 0.69 RAPGEF4 (0.48) OXER1TSHRRAB9AL3MBTL1HDAC3
SCHEMBL6901863 0.69 TFPI2 (0.55) OXER1TFPI2TSHRRAB9AL3MBTL1
SCHEMBL21805526 0.69 OXER1 (0.41) OXER1S1PR1TFPI2TSHRRAB9A
SCHEMBL4959132 0.69 PRKCI (0.52) OXER1TFPI2TSHRRAB9AL3MBTL1
SCHEMBL3268572 0.69 OXER1 (0.44) OXER1S1PR1TFPI2TSHRRAB9A
SCHEMBL31517105 0.69 KCNH2 (0.41) S1PR1PPARDPPARAKCNH2KDR

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 6 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-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-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 OXER1 4138/4885S1PR1 1538/4885PPARD 2143/4885
US-20160185691-A1 One-Component Reagent for the Fluoroalkylation Reaction AOC1, AOC3, AOC2 OXER1 3130/4885S1PR1 2489/4885PPARD 4654/4885

“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.