SCHEMBL1825558

SCHEMBL1825558

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
CA12 O43570 6/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
SERPINE1 P05121 1/20 0.37
EGFR P00533 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MMP13 P45452 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
CXCR2 P25025 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL1827770 0.94 SYK (0.41) SYKCA12CA1CA2CA9
SCHEMBL1823821 0.92 SYK (0.42) SYKCA12CA1CA2CA9
SCHEMBL1824426 0.91 SYK (0.39) SYKCA12CA1CA2CA9
SCHEMBL1825277 0.90 MTNR1A (0.36) SYKCA12CA1CA2CA9
SCHEMBL1824993 0.87 SYK (0.53) SYKCA12CA1CA2CA9
SCHEMBL1826635 0.87 SYK (0.55) SYKCA12CA1CA2CTSS
SCHEMBL1820861 0.86 SYK (0.41) SYKCA12CA1CA2CA9
SCHEMBL1827842 0.85 EGFR (0.43) SYKCA12CA1CA2CA9
SCHEMBL1824911 0.85 CA12 (0.43) SYKCA12CA1CA2CA9
SCHEMBL1824448 0.84 EGFR (0.45) CA12CA1CA2CA9EGFR

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 SYK 1520/4885CA12 1498/4885CA1 1603/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 SYK 1172/4885CA12 670/4885CA1 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.