SCHEMBL1156546

SCHEMBL1156546

CC(C)(C)CN(Cc1cc(Br)n(S(=O)(=O)c2ccccc2C#N)c1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR3C1 P04150 1/20 0.33
ATM Q13315 1/20 0.33
CHRM5 P08912 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
POLB P06746 1/20 0.33
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 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
SCHEMBL1156299 0.86 ALDH1A1 (0.40) KLK7KDM2BKDM4EHTTALDH1A1
SCHEMBL1156624 0.84 CHRM5 (0.43) L3MBTL1CHRM5POLB
SCHEMBL4411754 0.83 CHRM5 (0.42) L3MBTL1CHRM5POLB
SCHEMBL1156870 0.82 BRAF (0.41) KLK7KDM2BKDM4EHTTALDH1A1
SCHEMBL2410005 0.81 PTGDR2 (0.34) KLK7KDM2BKDM4EHTTALDH1A1
SCHEMBL1156544 0.80 HTR2C (0.37) KLK7KDM2BKDM4EHTTALDH1A1
SCHEMBL1156789 0.79 LMNA (0.39) KDM4EALDH1A1PKML3MBTL1CHRM5
SCHEMBL1156488 0.78 CHRM5 (0.36) ALDH1A1L3MBTL1CHRM5POLB
SCHEMBL1156885 0.78 PTGDR2 (0.40) ALDH1A1PKMCHRM5TAS2R14
SCHEMBL1156564 0.77 LMNA (0.41) ALDH1A1CHRM5CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048909-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-01 US disclosed
EP-2336107-A2 Proton pump inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed
US-20110028476-A1 PROTON PUMP INHIBITORS KAJINO MASAHIRO 2011-02-03 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 (1 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-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 KLK7 4150/4885KDM2B 1658/4885KDM4E 2128/4885

“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.