SCHEMBL15545290

SCHEMBL15545290

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 4/20 0.40
ABCC8 Q09428 4/20 0.40
KCNJ11 Q14654 4/20 0.40
KCNJ8 Q15842 4/20 0.40
SLC22A12 Q96S37 5/20 0.35
AR P10275 3/20 0.33
CYP2C19 P33261 1/20 0.33
ABCB11 O95342 1/20 0.33
ALB P02768 1/20 0.33
PGR P06401 1/20 0.33
ADRA2C P18825 1/20 0.33
GHSR Q92847 1/20 0.33
VEGFA P15692 1/20 0.32
EPAS1 Q99814 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
SCHEMBL15606450 0.77 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8SLC22A12
SCHEMBL15545458 0.75 ALDH1A1 (0.53) ABCC9ABCC8KCNJ11KCNJ8AR
SCHEMBL15606505 0.71 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8AR
SCHEMBL15544689 0.68 ALDH1A1 (0.44)
SCHEMBL15545328 0.67 ALDH1A1 (0.41) SLC22A12PGRVEGFAEPAS1
SCHEMBL17213719 0.64 EPAS1 (0.36) ABCC9ABCC8KCNJ11KCNJ8SLC22A12
SCHEMBL15555781 0.64 JAK2 (0.46)
SCHEMBL30192879 0.63 ALDH1A1 (0.53) ABCC9ABCC8KCNJ11KCNJ8SLC22A12
SCHEMBL16555420 0.63 ALDH1A1 (0.53) ABCC9ABCC8KCNJ11KCNJ8SLC22A12
SCHEMBL15545106 0.62 RAD51 (0.43) PGRVEGFAEPAS1

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.