SCHEMBL15544997

SCHEMBL15544997

CSC(=NC#N)Nc1ccc(S(=O)(=O)C(F)(F)F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.39
ABCC8 Q09428 2/20 0.39
KCNJ11 Q14654 2/20 0.39
KCNJ8 Q15842 2/20 0.39
HSD11B1 P28845 2/20 0.38
CNR2 P34972 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPAS1 Q99814 7/20 0.34
SLC22A12 Q96S37 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
VEGFA P15692 1/20 0.33

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
SCHEMBL15544994 1.00 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8HSD11B1
SCHEMBL18856556 0.87 ALDH1A1 (0.39) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL15544235 0.86 ALDH1A1 (0.38) ABCC9ABCC8KCNJ11KCNJ8HSD11B1
SCHEMBL15544238 0.86 ALDH1A1 (0.38) ABCC9ABCC8KCNJ11KCNJ8HSD11B1
SCHEMBL15606505 0.84 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL15544076 0.82 KIF11 (0.48) ABCC9ABCC8KCNJ11KCNJ8CNR2
SCHEMBL15544074 0.82 KIF11 (0.48) ABCC9ABCC8KCNJ11KCNJ8CNR2
SCHEMBL15903062 0.81 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8HSD11B1
SCHEMBL15903066 0.81 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8HSD11B1
SCHEMBL15544255 0.80 RAPGEF3 (0.43) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 ABCC9 1009/4885ABCC8 1178/4885KCNJ11 2678/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ABCC9 1009/4885ABCC8 1178/4885KCNJ11 2678/4885

“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.