SCHEMBL16610834

SCHEMBL16610834

CCC(COC)n1cc(-c2ccc(S(N)(=O)=O)cc2)c2c(=O)[nH]ccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.38
CA2 P00918 9/20 0.38
CA9 Q16790 9/20 0.38
CA12 O43570 8/20 0.38
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
PTGS2 P35354 7/20 0.33
PTGS1 P23219 4/20 0.33
MAPKAPK2 P49137 1/20 0.33
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 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
SCHEMBL18052581 0.86
SCHEMBL16610872 0.85 BRD9 (0.35) IKBKBCHUKMAPKAPK2
SCHEMBL16610721 0.84 CRHR1 (0.39) JAK2JAK1
SCHEMBL16611253 0.82 EGLN1 (0.33) JAK2JAK1
SCHEMBL16611297 0.79 CA1 (0.40) CA1CA2CA9CA12IKBKB
SCHEMBL16623452 0.74 BRD9 (0.31)
SCHEMBL16623520 0.74 MAPT (0.36) IKBKBCHUKMAPKAPK2
SCHEMBL16611521 0.72 CA12 (0.39) CA1CA2CA9CA12IKBKB
SCHEMBL16623441 0.72 JAK2 (0.40) JAK2JAK1
SCHEMBL16726645 0.70 BRD4 (0.33) JAK2JAK1

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.