SCHEMBL1823707

SCHEMBL1823707

CC(C)(C)OC(=O)NCC(C(=O)OC(C)(C)C)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
MMP13 P45452 1/20 0.40
ADRB3 P13945 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
EGFR P00533 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 2/20 0.38
ACACB O00763 1/20 0.37
FAAH O00519 1/20 0.37
P2RX7 Q99572 3/20 0.36
CA12 O43570 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA9 Q16790 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
SCHEMBL3572152 0.95 SYK (0.40) SYKMMP13ADRB3CTSSCTSK
SCHEMBL1826055 0.93 SYK (0.41) SYKMMP13ADRB3CTSSCTSK
SCHEMBL1825441 0.92 MMP13 (0.39) SYKMMP13ADRB3CTSSCTSK
SCHEMBL1826735 0.92 P2RX7 (0.40) SYKMMP13EGFRCA1CA2
SCHEMBL1825655 0.92 MTNR1A (0.43) MMP13ADRB3CTSKFAAHALDH1A1
SCHEMBL1825084 0.91 SYK (0.46) SYKCTSSCTSKCA1FAAH
SCHEMBL1824945 0.91 SYK (0.48) SYKMMP13ADRB3CTSSCTSK
SCHEMBL1827842 0.89 EGFR (0.43) SYKMMP13CTSSCTSKEGFR
SCHEMBL1826924 0.88 ADRB3 (0.48) SYKMMP13ADRB3CTSSCTSK
SCHEMBL1820861 0.87 SYK (0.41) SYKMMP13CTSSCTSKCA1

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 1520/4885MMP13 4589/4885ADRB3 1280/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 SYK 1172/4885MMP13 4114/4885ADRB3 1134/4885

“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.