SCHEMBL1826720

SCHEMBL1826720

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
CACNA1H O95180 1/20 0.42
CA1 P00915 7/20 0.41
CA2 P00918 6/20 0.41
ACHE P22303 5/20 0.41
ADRB2 P07550 1/20 0.38
ADRB3 P13945 1/20 0.38
SYK P43405 1/20 0.38
ELANE P08246 1/20 0.37
PRTN3 P24158 1/20 0.37
CASP1 P29466 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37

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
SCHEMBL1822874 0.92 MTNR1A (0.45) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL1825669 0.92 MTNR1A (0.47) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL1823846 0.91 CACNA1H (0.45) MTNR1AMTNR1BCACNA1HCA1CA2
SCHEMBL3578422 0.90 MTNR1A (0.44) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL1824704 0.90 CA1 (0.47) CACNA1HCA1CA2ACHESYK
SCHEMBL1828933 0.88 SYK (0.48) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL1823393 0.88 P2RX7 (0.42) MTNR1AMTNR1BCACNA1HCA1
SCHEMBL3578145 0.86 CA1 (0.42) CA1CA2ACHEADRB2ADRB3
SCHEMBL3570140 0.85 MTNR1A (0.55) MTNR1AMTNR1BADRB2ADRB3F10
SCHEMBL1823345 0.85 BCHE (0.41) MTNR1AMTNR1BADRB2ADRB3F2

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 MTNR1A 2715/4885MTNR1B 1718/4885CACNA1H 3491/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MTNR1A 3986/4885MTNR1B 3105/4885CACNA1H 3756/4885

“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.