SCHEMBL1156544

SCHEMBL1156544

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
KLK7 P49862 1/20 0.36
BDKRB1 P46663 1/20 0.36
PKM P14618 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1H2 P55055 1/20 0.33
GLS O94925 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NR1H3 Q13133 1/20 0.33
GAA P10253 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
SCHEMBL1156299 0.87 ALDH1A1 (0.40) ALDH1A1HTTKLK7BDKRB1PKM
SCHEMBL1156621 0.84 HTR2C (0.42) HTR2CSLC6A4GLS
SCHEMBL31755113 0.83 TSHR (0.38) HTR2CSLC6A4ALDH1A1CTSLCTSB
SCHEMBL31754845 0.83 RORC (0.42) NR1H3
SCHEMBL4411752 0.82 HTR2C (0.41) HTR2CSLC6A4GLS
SCHEMBL1156867 0.82 BRAF (0.41) HTR2CSLC6A4ALDH1A1HTTCTSL
SCHEMBL2410003 0.81 HTR2C (0.34) HTR2CSLC6A4ALDH1A1HTTCTSL
SCHEMBL1156546 0.80 KLK7 (0.36) ALDH1A1HTTCTSSKLK7PKM
SCHEMBL31755092 0.79 HTR2C (0.37) HTR2CSLC6A4BDKRB1PKMGLS
SCHEMBL1156788 0.79 KDM4E (0.38) HTR2CSLC6A4ALDH1A1L3MBTL1KDM4E

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 HTR2C 924/4885SLC6A4 1316/4885ALDH1A1 2505/4885

“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.