SCHEMBL15545274

SCHEMBL15545274

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
RORC P51449 4/20 0.51
ALDH1A1 P00352 3/20 0.50
ABCC9 O60706 1/20 0.49
ABCC8 Q09428 1/20 0.49
KCNJ11 Q14654 1/20 0.49
KCNJ8 Q15842 1/20 0.49
ATAD2 Q6PL18 1/20 0.49
CECR2 Q9BXF3 1/20 0.49
HSD11B1 P28845 2/20 0.47
CDK1 P06493 1/20 0.47
IDO1 P14902 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CNR2 P34972 1/20 0.44

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
SCHEMBL3793149 0.83 PDK1 (0.58) MEN1KMT2ASMN1; SMN2RORCALDH1A1
SCHEMBL2312129 0.81 ALDH1A1 (0.69) MEN1KMT2ASMN1; SMN2RORCALDH1A1
SCHEMBL6514545 0.80 CA2 (0.56) SMN1; SMN2RORCALDH1A1ATAD2CECR2
SCHEMBL15544947 0.79 MAPK1 (0.51) MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL2314802 0.78 ALDH1A1 (0.51) SMN1; SMN2RORCALDH1A1ATAD2CECR2
SCHEMBL15545458 0.76 ALDH1A1 (0.53) SMN1; SMN2MAPK1ALDH1A1ABCC9ABCC8
SCHEMBL28875490 0.75 KDR (0.57) MEN1KMT2ASMN1; SMN2RORCALDH1A1
SCHEMBL2787734 0.75 NR1H4 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1ABCC9
SCHEMBL15544994 0.75 ABCC9 (0.39) MEN1KMT2ASMN1; SMN2MAPK1ABCC9
SCHEMBL15544997 0.75 ABCC9 (0.39) MEN1KMT2ASMN1; SMN2MAPK1ABCC9

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 11 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

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 MEN1 4686/4885KMT2A 4470/4885SMN1; SMN2 2853/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MEN1 4686/4885KMT2A 4470/4885SMN1; SMN2 2853/4885

“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.