SCHEMBL1357276

SCHEMBL1357276

CNC(OC(=O)/C=C/C(=O)O)c1cn(S(=O)(=O)c2cc3ccccc3s2)c(-c2ccccc2)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.34
MMP13 P45452 1/20 0.34
OGG1 O15527 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CA2 P00918 1/20 0.31
MCL1 Q07820 1/20 0.30

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
SCHEMBL1355978 0.81 SMN1; SMN2 (0.34) OGG1SMN1; SMN2HSD17B10HCAR2
SCHEMBL1357675 0.80 HTR6 (0.39) HDAC1OGG1SMN1; SMN2HSD17B10PTGDR2
Fumaric Acid SCHEMBL1357277 0.79 HDAC1 (0.38) HDAC1MMP13OGG1SMN1; SMN2HSD17B10
SCHEMBL3696946 0.77 FFAR1 (0.33) HCAR2
SCHEMBL3703507 0.76 POLB (0.33) SMN1; SMN2HCAR2
SCHEMBL3701641 0.75 CTSA (0.31)
SCHEMBL3696441 0.74 HCAR2 (0.34) HDAC1SMN1; SMN2HCAR2
SCHEMBL9611273 0.73 ADRB2 (0.41) HDAC1MMP13OGG1SMN1; SMN2HSD17B10
SCHEMBL3691869 0.72 FFAR1 (0.32) HCAR2
SCHEMBL4120943 0.70 HCAR2 (0.31) HCAR2

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 5 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
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-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

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 HDAC1 577/4885MMP13 1553/4885OGG1 4143/4885
US-20110288040-A1 ARYL- OR HETEROARYL-SULFONYL COMPOUNDS AS ACID SECRETION INHIBITORS GHSR, GIPR, HRH2 HDAC1 665/4885MMP13 1986/4885OGG1 4103/4885

“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.