SCHEMBL1827258

SCHEMBL1827258

CC(=O)NCC(CC(=O)OCc1ccccc1)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.53
MTNR1B P49286 6/20 0.53
LMNA P02545 2/20 0.39
FAAH O00519 1/20 0.39
ADRB3 P13945 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP9 P14780 1/20 0.37
CA12 O43570 1/20 0.37
PKM P14618 1/20 0.36
F10 P00742 1/20 0.36
MAOB P27338 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
SCHEMBL1827124 0.94 MTNR1A (0.50) MTNR1AMTNR1BLMNAKMT2A
SCHEMBL1824502 0.91 MTNR1A (0.42) MTNR1AMTNR1BLMNAFAAHKMT2A
SCHEMBL1824347 0.90 MTNR1A (0.50) MTNR1AMTNR1BFAAHADRB3RAB9A
SCHEMBL3570140 0.90 MTNR1A (0.55) MTNR1AMTNR1BLMNAFAAHADRB3
SCHEMBL1824922 0.89 MTNR1A (0.46) MTNR1AMTNR1BLMNAKMT2ASMN1; SMN2
SCHEMBL1823694 0.89 MTNR1A (0.55) MTNR1AMTNR1BFAAHADRB3KMT2A
SCHEMBL1825049 0.88 SYK (0.46) MTNR1AMTNR1BFAAHKMT2A
SCHEMBL1824779 0.88 MTNR1A (0.43) MTNR1AMTNR1BFAAHKMT2APKM
SCHEMBL1825560 0.88 MTNR1A (0.45) MTNR1AMTNR1BFAAHADRB3SMN1; SMN2
SCHEMBL1824635 0.87 BCHE (0.40) MTNR1AMTNR1BFAAHADRB3KMT2A

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 1718/4885LMNA 1802/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MTNR1A 3986/4885MTNR1B 3105/4885LMNA 1130/4885

“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.