SCHEMBL15544947

SCHEMBL15544947

CC(=O)Nc1ccc(Br)c(S(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 2/20 0.47
IDO1 P14902 3/20 0.46
EPHX1 P07099 1/20 0.46
GSTO1 P78417 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
IDH1 O75874 1/20 0.45
ENPP2 Q13822 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CDK1 P06493 1/20 0.43
ALDH3A1 P30838 1/20 0.43

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
SCHEMBL25526833 0.83 CA1 (0.43) ALDH1A1GSTO1CA12CA1CA2
SCHEMBL29973632 0.83 CA1 (0.43) ALDH1A1GSTO1CA12CA1CA2
SCHEMBL15545274 0.79 MEN1 (0.55) MAPK1SMN1; SMN2ALDH1A1IDO1MEN1
SCHEMBL15545458 0.79 ALDH1A1 (0.53) MAPK1SMN1; SMN2ALDH1A1
SCHEMBL30977691 0.75 EPHX1 (0.74) MAPK1SMN1; SMN2EPHX1MEN1KMT2A
SCHEMBL1431941 0.75 EPHX1 (0.74) MAPK1SMN1; SMN2EPHX1MEN1KMT2A
SCHEMBL18239828 0.75 ALDH1A1 (0.69) MAPK1SMN1; SMN2ALDH1A1IDO1MEN1
SCHEMBL5786861 0.74 SMN1; SMN2 (0.65) MAPK1SMN1; SMN2ALDH1A1IDO1MEN1
SCHEMBL9014825 0.73 NOTUM (0.56) SMN1; SMN2ALDH1A1L3MBTL1LMNACA12
SCHEMBL7659979 0.73 HTT (0.54) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1

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
CN-104428289-B As the triazole compounds of antivirotic 弗·哈夫曼-拉罗切有限公司 2017-06-23 CN disclosed
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
EP-2870143-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. Hoffmann-La Roche AG (CH) 2015-05-13 EP disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
WO-2014006066-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-09 WO disclosed
WO-2014006066-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-09 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-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MAPK1 2229/4885SMN1; SMN2 2853/4885ALDH1A1 222/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MAPK1 2229/4885SMN1; SMN2 2853/4885ALDH1A1 222/4885

“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.