SCHEMBL1156757

SCHEMBL1156757

CC(C)c1c(CC(NC(=O)O)C(C)(C)C)cn(S(=O)(=O)c2ccccc2)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.35
MMP2 P08253 2/20 0.35
MMP3 P08254 2/20 0.35
MMP13 P45452 2/20 0.35
PTGS2 P35354 2/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
HTR6 P50406 4/20 0.34
ALDH1A1 P00352 2/20 0.33
PLK1 P53350 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR1F P30939 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
SCHEMBL1156575 0.88 HTR6 (0.35) ALOX5PTGS2HTR6PLK1MEN1
SCHEMBL1156909 0.86 ALOX5 (0.35) ALOX5MMP2MMP3MMP13PTGS2
SCHEMBL1156825 0.79 HTR6 (0.44) HTR6PLK1MEN1KMT2ASMN1; SMN2
SCHEMBL1156884 0.77 HTR6 (0.35) ALOX5PTGS2HTR6PLK1MEN1
SCHEMBL1580552 0.77 HTR6 (0.45) HTR6PLK1HTR1ADRD2HTR1D
Hydrochloric Acid SCHEMBL1157121 0.76 HTR6 (0.44) HTR6PLK1HTR1ADRD2HTR1D
SCHEMBL1156762 0.76 HTR6 (0.38) HTR6MEN1KMT2ASMN1; SMN2HTR1A
SCHEMBL1156823 0.75 HTR6 (0.44) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL1156759 0.74 HTR6 (0.39) MMP13HTR6HTR1ADRD2HTR1D
SCHEMBL2412415 0.73 PTGDR2 (0.34) HTR6MEN1KMT2ASMN1; SMN2HTR7

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 ALOX5 993/4885MMP2 1443/4885MMP3 2867/4885

“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.