SCHEMBL1827157

SCHEMBL1827157

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.48
MTNR1B P49286 6/20 0.48
GPR17 Q13304 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
G6PD P11413 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 3/20 0.37
ENPP2 Q13822 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DHODH Q02127 1/20 0.37
P2RY2 P41231 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
SCHEMBL1826880 0.92 MTNR1A (0.44) MTNR1AMTNR1BGPR17ALDH1A1MAPT
SCHEMBL1823694 0.92 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1KMT2AMEN1
SCHEMBL1827124 0.88 MTNR1A (0.50) MTNR1AMTNR1BMAPTGAAG6PD
SCHEMBL1827212 0.88 GPR17 (0.38) MTNR1AMTNR1BGPR17ALDH1A1MAPT
SCHEMBL1822093 0.87 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL1828157 0.85 P2RX7 (0.44) MTNR1AMTNR1BMAPTGAAG6PD
SCHEMBL1823631 0.85 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL1824347 0.85 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1MAPTSMN1; SMN2
SCHEMBL1826084 0.84 BCHE (0.41) MTNR1AMTNR1BGPR17ALDH1A1MAPT
SCHEMBL1821205 0.83 MTNR1A (0.43) MTNR1AMTNR1BGPR17ALDH1A1MAPT

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 1718/4885GPR17 4205/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MTNR1A 3986/4885MTNR1B 3105/4885GPR17 4459/4885

“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.