SCHEMBL827743

SCHEMBL827743

CS(=O)(=O)OCCn1nc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 5/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CTSC P53634 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
KIF11 P52732 1/20 0.39
AURKA O14965 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
APP P05067 1/20 0.39
CYP11B2 P19099 1/20 0.39
RECQL P46063 1/20 0.39
BUB1 O43683 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38

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
SCHEMBL827744 0.88 MAPT (0.47) IDH2LMNAMAPTMAPK1CTSC
SCHEMBL827669 0.83 IDH2 (0.47) IDH2LMNAMAPTMAPK1CTSC
SCHEMBL827754 0.81 IDH2 (0.46) IDH2LMNAMAPK1CTSCABCG2
SCHEMBL827924 0.81 IDH2 (0.44) IDH2LMNAMAPTMAPK1CTSC
SCHEMBL10185924 0.81 TRPV4 (0.47) IDH2LMNAMAPTMAPK1FLT1
SCHEMBL827752 0.80 IDH2 (0.44) IDH2LMNAMAPTMAPK1CTSC
SCHEMBL829454 0.80 IDH2 (0.43) IDH2LMNAMAPTMAPK1CTSC
SCHEMBL827937 0.79 LMNA (0.43) IDH2LMNAMAPK1FLT1KDR
SCHEMBL860825 0.79 LMNA (0.52) IDH2LMNAMAPTMAPK1CTSC
SCHEMBL827545 0.78 AURKA (0.48) IDH2LMNAMAPK1CTSCABCG2

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
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US 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-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 IDH2 3285/4885LMNA 4583/4885MAPT 1731/4885

“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.