SCHEMBL438017

SCHEMBL438017

O=S(=O)(Cc1ccccc1Nc1c(Cl)cccc1Cl)NCCCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.48
CA4 P22748 6/20 0.48
CA9 Q16790 6/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
PTGS2 P35354 4/20 0.45
TTR P02766 3/20 0.45
PTGS1 P23219 2/20 0.45
CXCL8 P10145 2/20 0.45
AKR1B10 O60218 1/20 0.45
UGT1A9 O60656 1/20 0.45
TRPA1 O75762 1/20 0.45
ABCB11 O95342 1/20 0.45
MT-CO2 P00403 1/20 0.45
ALB P02768 1/20 0.45
UGT1A6 P19224 1/20 0.45
UGT1A1 P22309 1/20 0.45
CXCR1 P25024 1/20 0.45
ADRA1A P35348 1/20 0.45
AGTR2 P50052 1/20 0.45

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
SCHEMBL450312 0.92 PTGS2 (0.48) CA12CA4CA9CA1CA2
SCHEMBL30794451 0.92 PTGS2 (0.48) CA12CA4CA9CA1CA2
SCHEMBL448080 0.83 CAMK2A (0.41) CA12CA4CA9CA1CA2
SCHEMBL30794731 0.83 CAMK2A (0.41) CA12CA4CA9CA1CA2
SCHEMBL30794616 0.80 CLCN2 (0.54) PTGS2TTRPTGS1CXCL8AKR1B10
SCHEMBL451502 0.80 CLCN2 (0.54) PTGS2TTRPTGS1CXCL8AKR1B10
SCHEMBL448838 0.79 CYP2C9 (0.39) CA12CA4CA9CA1CA2
SCHEMBL30795166 0.79 CYP2C9 (0.39) CA12CA4CA9CA1CA2
SCHEMBL6950571 0.75 TTR (0.67) CA12CA4CA9CA1CA2
SCHEMBL13800457 0.75 TTR (0.67) CA12CA4CA9CA1CA2

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-8466201-B2 Potassium ion channel modulators and uses thereof RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-06-18 US disclosed
US-8466201-B2 Potassium ion channel modulators and uses thereof RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-06-18 US disclosed
US-20120065270-A1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2012-03-15 US disclosed
US-20120065270-A1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2012-03-15 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-20120065270-A1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF KCNN3, SCN2B, SCN1B CA12 4234/4885CA4 1404/4885CA9 2821/4885

“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.