SCHEMBL1823944

SCHEMBL1823944

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.50
MTNR1B P49286 9/20 0.50
PPARG P37231 2/20 0.40
FAAH O00519 1/20 0.40
PPARA Q07869 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB3 P13945 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL1822907 0.92 CA1 (0.43) MTNR1AMTNR1BPPARGFAAHADRB2
SCHEMBL1824628 0.90 MTNR1A (0.48) MTNR1AMTNR1BFAAHADRB2ADRB3
SCHEMBL1827708 0.88 CA2 (0.45) MTNR1AMTNR1BPPARGPPARACA1
SCHEMBL1825362 0.87 BCHE (0.45) PPARGFAAHPPARAADRB2ADRB3
SCHEMBL1826404 0.87 SYK (0.53) MTNR1AMTNR1BFAAHADRB2ADRB3
SCHEMBL1824596 0.87 MTNR1A (0.43) MTNR1AMTNR1BPPARGPPARACA1
SCHEMBL1829064 0.87 HSD17B10 (0.47) MTNR1AMTNR1BPPARGFAAHPPARA
SCHEMBL1823428 0.87 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL1821259 0.86 CA1 (0.44) MTNR1AMTNR1BPPARGFAAHCA1
SCHEMBL1825190 0.86 MTNR1A (0.45) MTNR1AMTNR1BLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1718/4885PPARG 3864/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MTNR1A 3986/4885MTNR1B 3105/4885PPARG 2131/4885

“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.