SCHEMBL1827371

SCHEMBL1827371

CC(C)OC(=O)C(CNCc1ccccc1)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.41
BCHE P06276 5/20 0.40
FAAH O00519 1/20 0.40
CASR P41180 1/20 0.38
BACE1 P56817 3/20 0.38
CTSD P07339 1/20 0.38
OPRK1 P41145 1/20 0.38
PLAU P00749 1/20 0.37
PLAT P00750 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
SCHEMBL1825724 0.94 GPR17 (0.40) ADRB3BCHEPLAUPLAT
SCHEMBL1823154 0.91 BCHE (0.43) ADRB3BCHEFAAHCASRBACE1
SCHEMBL1823455 0.90 BCHE (0.42) ADRB3BCHEFAAHCASRBACE1
SCHEMBL3570914 0.89 SMN1; SMN2 (0.43) ADRB3BCHEFAAHBACE1CTSD
SCHEMBL1824063 0.89 ADAMTS4 (0.42) ADRB3BCHE
SCHEMBL1825133 0.88 BCHE (0.42) ADRB3BCHEFAAHBACE1CTSD
SCHEMBL1823029 0.87 ATM (0.43) ADRB3BCHEFAAHBACE1CTSD
SCHEMBL1823643 0.86 MTNR1A (0.44) ADRB3FAAH
SCHEMBL1825989 0.85 CA1 (0.45) ADRB3
SCHEMBL1829277 0.85 MAPT (0.41) BCHEPLAUPLAT

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 ADRB3 1280/4885BCHE 1041/4885FAAH 2017/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ADRB3 1134/4885BCHE 99/4885FAAH 1771/4885

“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.