SCHEMBL9611258

SCHEMBL9611258

CNCc1cn(S(=O)(=O)c2c(F)cccc2F)c(-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR6 P50406 1/20 0.36
OGG1 O15527 1/20 0.36
PKM P14618 4/20 0.35
PKLR P30613 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
P2RX7 Q99572 1/20 0.33
MAPK14 Q16539 1/20 0.33
FAAH O00519 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PLA2G4A P47712 1/20 0.32

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
Fumaric Acid SCHEMBL1355977 0.94 SMN1; SMN2 (0.36) SMN1; SMN2HSD17B10HTR6OGG1PKM
Fumaric Acid SCHEMBL1355982 0.94 SMN1; SMN2 (0.36) SMN1; SMN2HSD17B10HTR6OGG1PKM
SCHEMBL1358382 0.83 RAPGEF4 (0.45) SMN1; SMN2OGG1KMT2ALMNAHTT
SCHEMBL1357890 0.81 NR1H2 (0.48) SMN1; SMN2HTR6PKMMEN1KMT2A
SCHEMBL9611280 0.78 RAB9A (0.42) SMN1; SMN2PKMKMT2ALMNATSHR
SCHEMBL12136107 0.77 MAPT (0.41) HTR6KMT2ALMNATSHRHTT
SCHEMBL1357268 0.77 HTR6 (0.44) HTR6OGG1MEN1KMT2ALMNA
SCHEMBL1357717 0.75 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10HTR6OGG1PKM
SCHEMBL9611273 0.75 ADRB2 (0.41) SMN1; SMN2HSD17B10OGG1LMNATSHR
Fumaric Acid SCHEMBL3696438 0.74 HTR6 (0.39) SMN1; SMN2HTR6PKMLMNA

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 8 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-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

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 SMN1; SMN2 3892/4885HSD17B10 459/4885HTR6 2825/4885
US-20110288040-A1 ARYL- OR HETEROARYL-SULFONYL COMPOUNDS AS ACID SECRETION INHIBITORS GHSR, GIPR, HRH2 SMN1; SMN2 3639/4885HSD17B10 612/4885HTR6 1927/4885

“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.