SCHEMBL9611273

SCHEMBL9611273

CNCc1cn(S(=O)(=O)c2cc3ccccc3s2)c(-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
CYP2A6 P11509 1/20 0.41
CA2 P00918 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
OGG1 O15527 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KIT P10721 1/20 0.37
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
HDAC1 Q13547 1/20 0.35
AKR1B1 P15121 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
GHSR Q92847 1/20 0.34
MCL1 Q07820 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
MMP13 P45452 1/20 0.33
CTSB P07858 1/20 0.33

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 SCHEMBL1357275 0.94 HDAC1 (0.38) ADRB2CYP2A6CA2PTGDR2OGG1
Fumaric Acid SCHEMBL1357277 0.94 HDAC1 (0.38) ADRB2CYP2A6CA2PTGDR2OGG1
SCHEMBL1156110 0.79 ADRB2 (0.42) ADRB2CYP2A6CA2PTGDR2KIT
Hydrochloric Acid SCHEMBL1156645 0.78 ADRB2 (0.41) ADRB2CYP2A6CA2PTGDR2KIT
SCHEMBL1358382 0.77 RAPGEF4 (0.45) OGG1SMN1; SMN2LMNAHTT
SCHEMBL1357890 0.77 NR1H2 (0.48) SMN1; SMN2LMNATSHRHTT
Fumaric Acid SCHEMBL1357693 0.76 RAB9A (0.39) SMN1; SMN2LMNATSHRHTT
Fumaric Acid SCHEMBL1357695 0.76 RAB9A (0.39) SMN1; SMN2LMNATSHRHTT
SCHEMBL9611258 0.75 SMN1; SMN2 (0.39) PTGDR2OGG1SMN1; SMN2HSD17B10LMNA
SCHEMBL12136107 0.73 MAPT (0.41) LMNATSHRHTT

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 7 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

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 ADRB2 2041/4885CYP2A6 35/4885CA2 21/4885
US-20110288040-A1 ARYL- OR HETEROARYL-SULFONYL COMPOUNDS AS ACID SECRETION INHIBITORS GHSR, GIPR, HRH2 ADRB2 1277/4885CYP2A6 39/4885CA2 100/4885

“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.