SCHEMBL1825518

SCHEMBL1825518

COC(=O)C(CN)C(C(=O)OC(C)(C)C)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CA12 O43570 6/20 0.33
CA1 P00915 6/20 0.33
CA2 P00918 6/20 0.33
CA9 Q16790 6/20 0.33
KMT2A Q03164 2/20 0.33
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
STS P08842 1/20 0.32
MEN1 O00255 1/20 0.32
PPARG P37231 1/20 0.31
TNF P01375 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31
CXCR1 P25024 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL1822745 0.94 ALDH1A1 (0.35) CXCR2ALDH1A1CA12CA1CA2
SCHEMBL1826660 0.90 STS (0.37) CXCR2ALDH1A1CA12CA1CA2
SCHEMBL1826527 0.89 ALDH1A1 (0.34) CXCR2ALDH1A1CA12CA1CA2
SCHEMBL1824962 0.86 ALDH1A1 (0.39) ALDH1A1KMT2AENPP3ENPP1MEN1
SCHEMBL1826120 0.85 CA1 (0.39) CA12CA1CA2CA9PPARG
SCHEMBL1826229 0.85 P2RX7 (0.41) ALDH1A1KMT2AENPP3ENPP1MEN1
SCHEMBL1824722 0.83 KCNA5 (0.32) CXCR2ALDH1A1CA12CA1CA2
SCHEMBL1828005 0.83 CA1 (0.39) CA12CA1CA2CA9PPARG
SCHEMBL1827772 0.82 KMT2A (0.38) CXCR2ALDH1A1CA12CA1CA2
SCHEMBL1827042 0.81 CA1 (0.46) CA12CA1CA2CA9KMT2A

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 1017/4885ALDH1A1 1099/4885CA12 1498/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CXCR2 4382/4885ALDH1A1 1440/4885CA12 670/4885

“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.