SCHEMBL16610896

SCHEMBL16610896

COc1nccc2c1c(-c1ccc(S(N)(=O)=O)cc1)cn2CC1COC(C)(C)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA2 P00918 10/20 0.38
CA1 P00915 8/20 0.38
MAPKAPK2 P49137 1/20 0.34
CA9 Q16790 7/20 0.33
CA12 O43570 5/20 0.33
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 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
SCHEMBL16611606 0.80 ALDH1A1 (0.44) PLK4FLT4KDRTEKALDH1A1
SCHEMBL16610868 0.79 ALDH1A1 (0.42) PLK4FLT4KDRTEKALDH1A1
SCHEMBL16611230 0.72 LRRK2 (0.42) KDRTEKCA2CA1MAPKAPK2
SCHEMBL16611272 0.72 GSK3B (0.42) TEKCA2CA1MAPKAPK2AXL
SCHEMBL16611297 0.69 CA1 (0.40) CA2CA1MAPKAPK2CA9CA12
SCHEMBL16611218 0.67 CA2 (0.38) CA2CA1MAPKAPK2CA9CA12
SCHEMBL16611215 0.67 CA2 (0.38) CA2CA1MAPKAPK2CA9CA12
SCHEMBL16611451 0.67 CA2 (0.38) CA2CA1MAPKAPK2CA9CA12
SCHEMBL16726660 0.66 ALDH1A1 (0.47) PLK4FLT4KDRTEKALDH1A1
SCHEMBL18052596 0.66 ALDH1A1 (0.44) PLK4FLT4KDRTEKALDH1A1

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 PLK4 620/4885FLT4 3404/4885KDR 4143/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 PLK4 620/4885FLT4 3404/4885KDR 4143/4885

“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.