SCHEMBL9611280

SCHEMBL9611280

CNCc1cn(S(=O)(=O)c2cccs2)c(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
HTT P42858 3/20 0.41
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
PKM P14618 4/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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 SCHEMBL1357693 0.94 RAB9A (0.39) RAB9AHTTNPC1SMN1; SMN2LMNA
Fumaric Acid SCHEMBL1357695 0.94 RAB9A (0.39) RAB9AHTTNPC1SMN1; SMN2LMNA
SCHEMBL13801543 0.85 RAB9A (0.40) RAB9AHTTNPC1SMN1; SMN2LMNA
SCHEMBL13999993 0.84 HTT (0.43) RAB9AHTTSMN1; SMN2LMNATSHR
Fumaric Acid SCHEMBL3703509 0.82 RAB9A (0.36) RAB9AHTTNPC1SMN1; SMN2LMNA
Fumaric Acid SCHEMBL3703504 0.82 RAB9A (0.36) RAB9AHTTNPC1SMN1; SMN2LMNA
SCHEMBL9611273 0.81 ADRB2 (0.41) HTTSMN1; SMN2LMNATSHR
SCHEMBL1357890 0.80 NR1H2 (0.48) HTTSMN1; SMN2LMNATSHRPKM
SCHEMBL1358382 0.78 RAPGEF4 (0.45) HTTSMN1; SMN2LMNAKMT2AL3MBTL1
SCHEMBL9611258 0.78 SMN1; SMN2 (0.39) HTTSMN1; SMN2LMNATSHRPKM

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 RAB9A 740/4885HTT 4252/4885NPC1 595/4885
US-20110288040-A1 ARYL- OR HETEROARYL-SULFONYL COMPOUNDS AS ACID SECRETION INHIBITORS GHSR, GIPR, HRH2 RAB9A 1149/4885HTT 3342/4885NPC1 350/4885

“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.