SCHEMBL16611690

SCHEMBL16611690

COc1nccc2c(C3=CCCC3)nn(-c3ccc(S(N)(=O)=O)cc3)c12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.45
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
CA12 O43570 4/20 0.37
FFAR2 O15552 1/20 0.37
PTGS1 P23219 4/20 0.35

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
SCHEMBL16611452 0.77 PTGS2 (0.43) PTGS2CA1CA2CA9CA12
SCHEMBL16611316 0.76 CA1 (0.42) PTGS2CA1CA2CA9CA12
SCHEMBL16611691 0.76 PTGS2 (0.36) PTGS2CA1CA2CA9CA12
SCHEMBL16610935 0.74 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL16610829 0.67 CCNA2 (0.47) PTGS2CA1CA2CA9CA12
SCHEMBL16611625 0.66 CCNA2 (0.50) PTGS2PTGS1
SCHEMBL16611260 0.65 PTGS2 (0.42) PTGS2CA1CA2CA9CA12
SCHEMBL6013909 0.65 PTGS2 (0.93) PTGS2CA1CA2CA9CA12
SCHEMBL6352330 0.62 PTGS2 (1.00) PTGS2CA1CA2CA9CA12
SCHEMBL5201734 0.62 PTGS2 (0.66) PTGS2CA1CA2CA9CA12

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 PTGS2 550/4885CA1 2704/4885CA2 1618/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 PTGS2 550/4885CA1 2704/4885CA2 1618/4885

“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.