SCHEMBL4123859

SCHEMBL4123859

O=Cc1cc(S(=O)(=O)c2ccccc2)n(-c2cccnc2F)n1.O=S(=O)(c1ccccc1)c1cc(CO)nn1-c1cccnc1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.35
CA2 P00918 6/20 0.35
CA9 Q16790 6/20 0.35
PTGS2 P35354 1/20 0.34
HTR6 P50406 2/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL3694113 0.92 CA1 (0.40) CA1CA2CA9PTGS2HTR6
SCHEMBL3703494 0.91 NFE2L2 (0.33) HTR6PTGDR2
SCHEMBL3709951 0.89 CA1 (0.36) CA1CA2CA9PTGS2HTR6
SCHEMBL476288 0.84 COMT (0.41) CA1CA2CA9PTGS2HTR6
SCHEMBL476434 0.83 COMT (0.40) PTGS2HTR6
SCHEMBL3695806 0.81 CA1 (0.40) CA1CA2CA9PTGS2HTR6
SCHEMBL476363 0.81 HTR6 (0.39) CA1CA2CA9PTGS2HTR6
SCHEMBL476311 0.81 CA1 (0.35) CA1CA2CA9PTGS2HTR6
SCHEMBL476443 0.80 CA1 (0.45) CA1CA2CA9PTGS2PTGDR2
SCHEMBL476451 0.80 HTR6 (0.39) PTGS2HTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US 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 (1 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 CA1 975/4885CA2 335/4885CA9 662/4885

“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.