SCHEMBL1825484

SCHEMBL1825484

CCOC(=O)CC(CNC(=O)OCc1ccccc1)c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.43
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
F10 P00742 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
G6PD P11413 1/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 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
SCHEMBL1827317 0.96 P2RX7 (0.44) P2RX7MTNR1AMTNR1BLMNAMAPT
SCHEMBL1824779 0.96 MTNR1A (0.43) P2RX7MTNR1AMTNR1BF10
SCHEMBL1828157 0.94 P2RX7 (0.44) P2RX7MTNR1AMTNR1BLMNAMAPT
SCHEMBL1823393 0.92 P2RX7 (0.42) P2RX7MTNR1AMTNR1BLMNAMAPT
SCHEMBL1823732 0.91 P2RX7 (0.49) P2RX7MTNR1AMTNR1BLMNA
SCHEMBL1828892 0.90 P2RX7 (0.49) P2RX7LMNAMAPT
SCHEMBL1824502 0.90 MTNR1A (0.42) P2RX7MTNR1AMTNR1BLMNA
SCHEMBL1827124 0.90 MTNR1A (0.50) P2RX7MTNR1AMTNR1BLMNAMAPT
SCHEMBL1826785 0.89 P2RX7 (0.47) P2RX7MTNR1AMTNR1BLMNAMAPT
SCHEMBL3578422 0.88 MTNR1A (0.44) MTNR1AMTNR1BF10MAPTNPSR1

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 P2RX7 3606/4885MTNR1A 2715/4885MTNR1B 1718/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885MTNR1A 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.