SCHEMBL16611451

SCHEMBL16611451

COc1nccc2c1c(-c1ccc(S(N)(=O)=O)cc1)cn2[C@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.38
CA1 P00915 4/20 0.38
RIPK2 O43353 5/20 0.35
S1PR1 P21453 1/20 0.33
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
SRC P12931 2/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
ABL2 P42684 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
MET P08581 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
NEK7 Q8TDX7 1/20 0.31
CA9 Q16790 4/20 0.31
CA7 P43166 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA12 O43570 1/20 0.31

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
SCHEMBL16611218 1.00 CA2 (0.38) CA2CA1RIPK2S1PR1AXL
SCHEMBL16611215 1.00 CA2 (0.38) CA2CA1RIPK2S1PR1AXL
SCHEMBL16611272 0.85 GSK3B (0.42) CA2CA1RIPK2S1PR1AXL
SCHEMBL16610865 0.83 LRRK2 (0.37) CA2CA1S1PR1AXLMERTK
SCHEMBL16611230 0.81 LRRK2 (0.42) CA2CA1S1PR1AXLMERTK
SCHEMBL16611158 0.79 LRRK2 (0.33) LRRK2MET
SCHEMBL16611059 0.79 LRRK2 (0.33) LRRK2MET
SCHEMBL16611056 0.79 LRRK2 (0.33) LRRK2MET
SCHEMBL16610896 0.67 PLK4 (0.41) CA2CA1S1PR1AXLMERTK
SCHEMBL16611184 0.67 EGFR (0.42) CA2CA1S1PR1SRCABL1

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 CA2 1618/4885CA1 2704/4885RIPK2 92/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CA2 1618/4885CA1 2704/4885RIPK2 92/4885

“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.