SCHEMBL1355967

SCHEMBL1355967

CCOC(=O)c1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 3/20 0.61
▸ NOD2 Q9HC29 1/20 0.49
▸ NOD1 Q9Y239 1/20 0.49
▸ CHRNA7 P36544 2/20 0.48
▸ NR1H2 P55055 2/20 0.48
▸ LMNA P02545 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ NR1H3 Q13133 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MCOLN3 Q8TDD5 1/20 0.46
▸ GABRA2 P47869 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ MEN1 O00255 2/20 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
SCHEMBL12137363 0.78 MAPT (0.60) NR1H2LMNATSHRMAPTNR1H3
SCHEMBL1779589 0.76 CA9 (0.59) CA9NR1H2TSHRMAPTALDH1A1
SCHEMBL9941326 0.76 CA9 (0.82) CA9CHRNA7NR1H2
SCHEMBL1156322 0.76 NOD2 (0.50) CA9NOD2NOD1CHRNA7LMNA
SCHEMBL9941851 0.76 CA9 (1.00) CA9CHRNA7SMN1; SMN2
SCHEMBL14288144 0.75 FAAH (0.58) CA9NR1H2TSHRMAPTALDH1A1
SCHEMBL4016328 0.74 CA9 (0.57) CA9NR1H2TSHRMAPTALDH1A1
SCHEMBL28804760 0.74 CA9 (0.57) CA9NR1H2TSHRL3MBTL1MAPT
SCHEMBL9630738 0.74 CA9 (0.77) CA9CHRNA7MAPTKMT2AGAA
SCHEMBL9210036 0.74 CA9 (0.75) CA9CHRNA7NR1H2KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2005957-B1 ACID SECRETION INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2012-05-30 — — EP disclosed
EP-2005957-B1 ACID SECRETION INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2012-05-30 — — EP disclosed
US-20110288040-A1 ARYL- OR HETEROARYL-SULFONYL COMPOUNDS AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 — — US disclosed
US-20110288040-A1 ARYL- OR HETEROARYL-SULFONYL COMPOUNDS AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 — — US disclosed
US-7994205-B2 Aryl-or heteroaryl-sulfonyl compounds as acid secretion inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-09 — — US disclosed
US-7994205-B2 Aryl-or heteroaryl-sulfonyl compounds as acid secretion inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-09 — — US disclosed
US-20090118335-A1 Acid Secretion Inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-07 — — US disclosed
US-20090118335-A1 Acid Secretion Inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-07 — — US disclosed
EP-2005957-A1 ACID SECRETION INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2008-12-24 — — EP disclosed
EP-2005957-A1 ACID SECRETION INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2008-12-24 — — 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-20090118335-A1 Acid Secretion Inhibitor ATP6AP1, HRH2, ATP6V1G1 CA9 149/4885NOD2 2911/4885NOD1 2982/4885
US-20110288040-A1 ARYL- OR HETEROARYL-SULFONYL COMPOUNDS AS ACID SECRETION INHIBITORS GHSR, GIPR, HRH2 CA9 504/4885NOD2 1556/4885NOD1 1784/4885

“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.

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