SCHEMBL1156485

SCHEMBL1156485

CC(C)(C)C(Cc1cc(Br)n(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1)NC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MET P08581 1/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ELANE P08246 2/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
NR1H2 P55055 2/20 0.32
HDAC2 Q92769 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CCR1 P32246 1/20 0.31

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
SCHEMBL1156617 0.91 MEN1 (0.37) ALDH1A1PTGDR2HDAC1HDAC6HDAC2
SCHEMBL1156560 0.89 PTGDR2 (0.39) PTGDR2ITGB1ITGA4
SCHEMBL4569735 0.89 PTGDR (0.42) ALDH1A1PPARGPTGDR2
SCHEMBL1156787 0.85 ALOX5 (0.40) ALDH1A1PPARG
SCHEMBL1156754 0.84 HSD17B10 (0.38) ALDH1A1GAAHSD17B10HDAC1
SCHEMBL1156881 0.84 PTGDR2 (0.39) PTGDR2HDAC1HDAC6HDAC2
Carbamic Acid SCHEMBL4791644 0.83 HSD17B10 (0.36) ALDH1A1HSD17B10ITGB1HDAC1
SCHEMBL1157008 0.82 PPARG (0.42) ALDH1A1PPARGPPARDPPARAPTGDR2
SCHEMBL1278229 0.81 LGMN (0.33) GAAPTGDR2
SCHEMBL1977122 0.81 NAMPT (0.37) MET

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 ALDH1A1 2505/4885GAA 334/4885HSD17B10 746/4885

“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.