SCHEMBL1156867

SCHEMBL1156867

CN(Cc1cc(-c2cccnc2)n(S(=O)(=O)c2ccccc2C#N)c1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.41
BDKRB1 P46663 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RIPK1 Q13546 1/20 0.33
NR1H2 P55055 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
HTT P42858 3/20 0.33
GPR119 Q8TDV5 2/20 0.33
KLK7 P49862 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
MAPK14 Q16539 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
SCHEMBL1156704 0.89 BRAF (0.42) BRAFBDKRB1ALDH1A1KDM4ERIPK1
SCHEMBL2410003 0.85 HTR2C (0.34) BDKRB1HTR2CSLC6A4ALDH1A1KDM4E
SCHEMBL1156870 0.83 BRAF (0.41) BRAFALDH1A1KDM4EKDM2BHTT
SCHEMBL1156741 0.83 FNTA (0.39) ALDH1A1NR1H2
SCHEMBL1278700 0.82 FNTA (0.39) HTR2CSLC6A4ALDH1A1RIPK1
SCHEMBL1156915 0.82 NAMPT (0.35) HTR2CSLC6A4RIPK1GPR119ABHD6
SCHEMBL1156544 0.82 HTR2C (0.37) BDKRB1HTR2CSLC6A4ALDH1A1KDM4E
SCHEMBL1278457 0.80 FNTA (0.33) HTR2CSLC6A4ALDH1A1KDM4ERIPK1
Hydrochloric Acid SCHEMBL4417841 0.80 NSD2 (0.32) BDKRB1HTR2CSLC6A4NR1H2CTSL
SCHEMBL1157223 0.80 BRAF (0.44) BRAFALDH1A1KDM4EHTTKLK7

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 BRAF 2101/4885BDKRB1 1315/4885HTR2C 924/4885

“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.