SCHEMBL1822745

SCHEMBL1822745

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CXCR2 P25025 2/20 0.33
PPARG P37231 2/20 0.33
CXCR1 P25024 1/20 0.33
CA1 P00915 7/20 0.32
CA2 P00918 7/20 0.32
CA9 Q16790 7/20 0.32
CA12 O43570 6/20 0.32
STS P08842 2/20 0.32
PPARA Q07869 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 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
SCHEMBL1825518 0.94 CXCR2 (0.34) ALDH1A1CXCR2PPARGCXCR1CA1
SCHEMBL1826660 0.93 STS (0.37) ALDH1A1CXCR2PPARGCXCR1CA1
SCHEMBL1826527 0.92 ALDH1A1 (0.34) ALDH1A1CXCR2PPARGCXCR1CA1
SCHEMBL1826120 0.88 CA1 (0.39) PPARGCA1CA2CA9CA12
SCHEMBL1828005 0.88 CA1 (0.39) PPARGCA1CA2CA9CA12
SCHEMBL1822866 0.85 TDP1 (0.40) ALDH1A1ENPP3ENPP1
SCHEMBL1825589 0.84 KMT2A (0.42) ALDH1A1PPARGENPP3ENPP1
SCHEMBL1821559 0.84 KMT2A (0.37) CA1CA2
SCHEMBL1823856 0.83 ALDH1A1 (0.33) ALDH1A1CXCR2PPARGCXCR1CA1
SCHEMBL1825559 0.83 ALDH1A1 (0.38) ALDH1A1CXCR2PPARGCXCR1CA1

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 ALDH1A1 1099/4885CXCR2 1017/4885PPARG 3864/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885CXCR2 4382/4885PPARG 2131/4885

“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.