SCHEMBL1828933

SCHEMBL1828933

CC(C)(C)OC(=O)CC(CNC(=O)OCc1ccccc1)c1cccc(OS(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
BACE1 P56817 4/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
ACHE P22303 3/20 0.38
MAPT P10636 1/20 0.38
MMP8 P22894 1/20 0.37
CASP1 P29466 2/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 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
SCHEMBL3572876 0.93 SYK (0.50) SYKMTNR1AMTNR1BBACE1CA1
SCHEMBL1822874 0.92 MTNR1A (0.45) SYKMTNR1AMTNR1BCA1CA2
SCHEMBL1825745 0.91 SYK (0.44) SYKMTNR1AMTNR1BBACE1CA1
SCHEMBL1825669 0.91 MTNR1A (0.47) SYKMTNR1AMTNR1BCA1CA2
SCHEMBL1823006 0.90 SYK (0.50) SYKCA1CA2ACHEMAPT
SCHEMBL3578422 0.89 MTNR1A (0.44) SYKMTNR1AMTNR1BCA1CA2
SCHEMBL1822248 0.89 MTNR1A (0.38) SYKMTNR1AMTNR1BCA1CA2
SCHEMBL1826720 0.88 MTNR1A (0.42) SYKMTNR1AMTNR1BCA1CA2
SCHEMBL1823732 0.88 P2RX7 (0.49) SYKMTNR1AMTNR1BMMP8
SCHEMBL1824565 0.86 SYK (0.50) SYKBACE1CA1CA2ACHE

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 1520/4885MTNR1A 2715/4885MTNR1B 1718/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 SYK 1172/4885MTNR1A 3986/4885MTNR1B 3105/4885

“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.