SCHEMBL16611565

SCHEMBL16611565

NS(=O)(=O)c1ccc(-c2cn(C3CCC(O)CC3)c3cc[nH]c(=O)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
CA12 O43570 4/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
BRD9 Q9H8M2 1/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
AXL P30530 3/20 0.35
TYRO3 Q06418 3/20 0.35
MERTK Q12866 3/20 0.35
FLT3 P36888 1/20 0.34
PTGS2 P35354 1/20 0.33
RIPK2 O43353 1/20 0.33
ABL1 P00519 3/20 0.33
EGFR P00533 3/20 0.33
ABL2 P42684 3/20 0.33
KDM1A O60341 1/20 0.32
SRC P12931 2/20 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
SCHEMBL16611817 1.00 CA1 (0.39) CA1CA2CA9CA12JAK2
SCHEMBL16611563 1.00 CA1 (0.39) CA1CA2CA9CA12JAK2
SCHEMBL16611244 0.91 JAK2 (0.43) CA1CA2CA9CA12JAK2
SCHEMBL16610905 0.88 CA12 (0.39) CA1CA2CA9CA12JAK2
SCHEMBL16610867 0.84 CA12 (0.38) CA1CA2CA9CA12JAK2
SCHEMBL16623514 0.84 BRD9 (0.39) JAK2JAK1BRD9AXLTYRO3
SCHEMBL16623437 0.84 BRD9 (0.39) JAK2JAK1BRD9AXLTYRO3
SCHEMBL18052586 0.83 BRD9 (0.38) BRD9RIPK2ABL1EGFRABL2
SCHEMBL16610986 0.81 JAK2 (0.43) CA1CA2CA9CA12JAK2
SCHEMBL16610987 0.81 JAK2 (0.43) CA1CA2CA9CA12JAK2

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-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CA1 2704/4885CA2 1618/4885CA9 1560/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CA1 2704/4885CA2 1618/4885CA9 1560/4885

“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.