SCHEMBL1825560

SCHEMBL1825560

COC(=O)CC(CNC(=O)OCc1ccccc1)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40
CA1 P00915 4/20 0.40
CASP1 P29466 2/20 0.39
CA2 P00918 2/20 0.39
ACHE P22303 2/20 0.39
MAPT P10636 1/20 0.39
NPBWR1 P48145 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCHR1 Q99705 1/20 0.39
PPARG P37231 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 1/20 0.38

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
SCHEMBL1828157 0.95 P2RX7 (0.44) MTNR1AMTNR1BCA1CA2MAPT
SCHEMBL1824502 0.94 MTNR1A (0.42) MTNR1AMTNR1BCA1CASP1CA2
SCHEMBL1824779 0.93 MTNR1A (0.43) MTNR1AMTNR1BF10CA1CASP1
SCHEMBL1823846 0.92 CACNA1H (0.45) MTNR1AMTNR1BF2F10PRSS1
SCHEMBL1825745 0.91 SYK (0.44) MTNR1AMTNR1BCA1CASP1MAPT
SCHEMBL1825669 0.90 MTNR1A (0.47) MTNR1AMTNR1BCA1CASP1CA2
SCHEMBL1827317 0.90 P2RX7 (0.44) MTNR1AMTNR1BCA1CA2MAPT
SCHEMBL1824863 0.89 CA1 (0.45) CA1CASP1CA2ACHEMAPT
SCHEMBL1825484 0.88 P2RX7 (0.43) MTNR1AMTNR1BF10MAPTNPBWR1
SCHEMBL1827258 0.88 MTNR1A (0.53) MTNR1AMTNR1BF10SMN1; SMN2FAAH

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 1718/4885F2 701/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MTNR1A 3986/4885MTNR1B 3105/4885F2 805/4885

“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.