SCHEMBL1828183

SCHEMBL1828183

CC(c1ccccc1)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.40
CA2 P00918 5/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 3/20 0.39
CXCR1 P25024 1/20 0.39
PPARG P37231 3/20 0.39
NFE2L2 Q16236 2/20 0.39
ACP3 P15309 1/20 0.39
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CA12 O43570 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 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
SCHEMBL3838502 0.87 CA2 (0.41) CXCR2CA2CA1CA9PPARG
SCHEMBL1826064 0.86 CA1 (0.41) CXCR2CA2CA1CA9CXCR1
SCHEMBL1826108 0.82 TDP1 (0.59) CA2LMNATDP1ALDH1A1CA12
SCHEMBL1821528 0.82 FFAR1 (0.42) CA2CA1CA9PPARGNFE2L2
SCHEMBL1827121 0.81 ALDH1A1 (0.41) CXCR2CA2CA1CA9CXCR1
SCHEMBL3511754 0.80 CA2 (0.50) CXCR2CA2CA1CA9CXCR1
SCHEMBL323791 0.80 CA1 (0.58) CA2CA1CA9PPARGNFE2L2
SCHEMBL1820936 0.79 ALDH1A1 (0.43) CXCR2CA2CA1CA9CXCR1
Hydrogen Sulfide SCHEMBL27764023 0.79 CA2 (0.49) CXCR2CA2CA1CA9CXCR1
SCHEMBL22688923 0.78 CA2 (0.56) CA2CA1CA9PPARGNFE2L2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 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 (2 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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 CXCR2 1017/4885CA2 730/4885CA1 1603/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CXCR2 4382/4885CA2 349/4885CA1 1728/4885

“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.