SCHEMBL1824347

SCHEMBL1824347

CCOC(=O)CC(CNC(C)=O)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.50
MTNR1B P49286 7/20 0.50
F10 P00742 2/20 0.41
ADRB3 P13945 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.38
F2 P00734 2/20 0.37
PRSS1 P07477 1/20 0.37
HSD11B1 P28845 1/20 0.36
MAPT P10636 1/20 0.36
FAAH O00519 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
SCHEMBL1826880 0.93 MTNR1A (0.44) MTNR1AMTNR1BF10ALDH1A1F2
SCHEMBL1823694 0.91 MTNR1A (0.55) MTNR1AMTNR1BF10ADRB3SMN1; SMN2
SCHEMBL1827258 0.90 MTNR1A (0.53) MTNR1AMTNR1BF10ADRB3SMN1; SMN2
SCHEMBL1825078 0.89 ALDH1A1 (0.44) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL1825186 0.88 MTNR1A (0.50) MTNR1AMTNR1BF10ADRB3SMN1; SMN2
SCHEMBL1822398 0.88 SYK (0.39) MTNR1AMTNR1BF10ADRB3SMN1; SMN2
SCHEMBL1824779 0.88 MTNR1A (0.43) MTNR1AMTNR1BF10FAAH
SCHEMBL1825194 0.88 MTNR1A (0.48) MTNR1AMTNR1BF10ALDH1A1F2
SCHEMBL1824491 0.87 MTNR1A (0.49) MTNR1AMTNR1BADRB3SMN1; SMN2ALDH1A1
SCHEMBL1827124 0.87 MTNR1A (0.50) MTNR1AMTNR1BMAPT

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 1718/4885F10 1460/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MTNR1A 3986/4885MTNR1B 3105/4885F10 1977/4885

“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.