SCHEMBL2669995

SCHEMBL2669995

Cc1cc(C(F)(F)F)cc(F)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAPGEF4 Q8WZA2 2/20 0.37
IKBKB O14920 1/20 0.37
PDE2A O00408 2/20 0.36
MAPK1 P28482 1/20 0.35
IDO1 P14902 3/20 0.35
MPL P40238 1/20 0.35
PTPN5 P54829 2/20 0.34
NR2E1 Q9Y466 1/20 0.34
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 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
SCHEMBL30214898 1.00 POLB (0.43) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL3323506 0.85 TSHR (0.41) ALDH1A1TSHRPDE2AMAPK1IDO1
SCHEMBL532346 0.85 POLB (0.56) POLBALDH1A1TSHRTP53CYP3A4
Hydrochloric Acid SCHEMBL19857169 0.83 POLB (0.61) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL29545905 0.79 ALDH1A1 (0.50) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL442808 0.79 ALDH1A1 (0.50) ALDH1A1TSHRPDE2AMAPK1IDO1
SCHEMBL12329602 0.79 ALDH1A1 (0.50) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL21615516 0.77 POLB (0.43) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL11695402 0.77 KIF11 (0.38) POLBALDH1A1TSHRPDE2AMAPK1
SCHEMBL12912376 0.76 RAPGEF4 (0.39) RAPGEF4IKBKBPDE2AIDO1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021123294-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 WO disclosed
US-20210130352-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-05-06 US disclosed
WO-2019243533-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2010098948-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAININ SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-09-02 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 (1 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-20210130352-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN POLB 402/4885ALDH1A1 3839/4885TSHR 4632/4885

“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.