SCHEMBL1762901

SCHEMBL1762901

CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 1/20 0.38
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CNR2 P34972 1/20 0.34
AKT1 P31749 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
SLC6A9 P48067 1/20 0.34
HTT P42858 2/20 0.33
SLC40A1 Q9NP59 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 SCHEMBL1156616 0.93 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4GPBAR1
Fumaric Acid SCHEMBL1156611 0.93 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4GPBAR1
SCHEMBL1580961 0.89 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4GPBAR1
SCHEMBL1580398 0.87 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4GPBAR1
SCHEMBL1580633 0.85 HTR6 (0.40) KMT2AMAPTPOLBTSHRALDH1A1
Hydrochloric Acid SCHEMBL1156896 0.84 HTR6 (0.40) KMT2AMAPTPOLBTSHRALDH1A1
Fumaric Acid SCHEMBL1278635 0.82 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4GPBAR1
Fumaric Acid SCHEMBL1278638 0.82 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4GPBAR1
Fumaric Acid SCHEMBL1278946 0.81 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4GPBAR1
Fumaric Acid SCHEMBL1278943 0.81 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186411-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20130261156-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 US disclosed
EP-2564833-A1 Photostabilized pharmaceutical composition Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-20110124687-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 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-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 CHRNB2 4514/4885CHRNB4 4698/4885CHRNA3 4204/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 CHRNB2 4514/4885CHRNB4 4698/4885CHRNA3 4204/4885

“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.