SCHEMBL1156787

SCHEMBL1156787

Cc1ccc(S(=O)(=O)n2cc(CC(NC(=O)O)C(C)(C)C)cc2Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.40
PTGS2 P35354 3/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALK Q9UM73 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
PPARG P37231 1/20 0.36

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 0.92 MEN1 (0.37) ALOX5PTGS2ALDH1A1LMNA
SCHEMBL1156881 0.92 PTGDR2 (0.39) LMNACA2MMP1MMP2MMP3
SCHEMBL1157008 0.90 PPARG (0.42) ALDH1A1LMNATSHRCA2MMP1
SCHEMBL1278229 0.87 LGMN (0.33) ALOX5PTGS2
SCHEMBL1156485 0.85 ALDH1A1 (0.35) ALDH1A1PPARG
SCHEMBL4569735 0.85 PTGDR (0.42) ALDH1A1LMNATSHRMMP1MMP2
SCHEMBL1156560 0.85 PTGDR2 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL1156754 0.84 HSD17B10 (0.38) ALDH1A1SLC1A3SLC1A2SLC1A1KDM4E
SCHEMBL1278350 0.83 NAMPT (0.35) ALOX5ALDH1A1KDM4ELMNAMMP2
Carbamic Acid SCHEMBL4791644 0.82 HSD17B10 (0.36) ALDH1A1SLC1A3SLC1A2SLC1A1KDM4E

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 993/4885PTGS2 416/4885ALDH1A1 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.