SCHEMBL1823345

SCHEMBL1823345

CC(C)OC(=O)CC(CNCc1ccccc1)c1cccc(OS(C)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
TSHR P16473 1/20 0.39
FAAH O00519 1/20 0.39
CASR P41180 1/20 0.38
ADRB3 P13945 2/20 0.37
CTSD P07339 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
CETP P11597 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
SCHEMBL1827162 0.91 BCHE (0.45) BCHEMTNR1AMTNR1BF2F10
SCHEMBL1823043 0.90 BCHE (0.40) BCHEMTNR1AMTNR1BF2F10
SCHEMBL1827075 0.89 TSHR (0.41) BCHETSHRADRB3ADRB2ADRB1
SCHEMBL1824552 0.88 F10 (0.46) BCHEMTNR1AMTNR1BF2F10
SCHEMBL1827193 0.88 BCHE (0.43) BCHEMTNR1AMTNR1BFAAHADRB3
SCHEMBL1823858 0.87 ATM (0.43) BCHEMTNR1AMTNR1BFAAHADRB3
SCHEMBL1825718 0.87 GPR17 (0.39) BCHEMTNR1AMTNR1BF2F10
SCHEMBL1826720 0.85 MTNR1A (0.42) MTNR1AMTNR1BF2F10PRSS1
SCHEMBL1823455 0.84 BCHE (0.42) BCHEFAAHCASRADRB3CTSD
SCHEMBL1826113 0.83 MTNR1A (0.48) MTNR1AMTNR1BF2F10PRSS1

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 BCHE 1041/4885MTNR1A 2715/4885MTNR1B 1718/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 BCHE 99/4885MTNR1A 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.