SCHEMBL3572876

SCHEMBL3572876

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CACNA1B Q00975 1/20 0.38
BACE1 P56817 2/20 0.37
CA1 P00915 2/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
IDO1 P14902 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB3 P13945 1/20 0.36
FAAH O00519 1/20 0.36
MAPT P10636 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
SCHEMBL1828933 0.93 SYK (0.48) SYKMTNR1AMTNR1BBACE1CA1
SCHEMBL1822874 0.92 MTNR1A (0.45) SYKMTNR1AMTNR1BKMT2ACA1
SCHEMBL1825049 0.91 SYK (0.46) SYKMTNR1AMTNR1BKLK7KLK5
SCHEMBL1827377 0.90 SYK (0.53) SYKKLK7KLK5KMT2AMEN1
SCHEMBL1821109 0.89 SYK (0.39) SYKMTNR1AMTNR1BCA1CA2
SCHEMBL1822248 0.89 MTNR1A (0.38) SYKMTNR1AMTNR1BCA1CA12
SCHEMBL1826785 0.88 P2RX7 (0.47) SYKMTNR1AMTNR1BMAPT
SCHEMBL3570140 0.88 MTNR1A (0.55) MTNR1AMTNR1BKMT2AADRB2ADRB3
SCHEMBL1827071 0.88 MTNR1A (0.40) SYKMTNR1AMTNR1BCA1CA12
SCHEMBL3578422 0.87 MTNR1A (0.44) SYKMTNR1AMTNR1BKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SYK 1520/4885MTNR1A 2715/4885MTNR1B 1718/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 SYK 1172/4885MTNR1A 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.