SCHEMBL1823643

SCHEMBL1823643

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.44
MTNR1B P49286 11/20 0.44
ADRB3 P13945 1/20 0.42
CTSK P43235 2/20 0.39
CTSS P25774 1/20 0.39
GPR17 Q13304 1/20 0.37
FAAH O00519 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADAMTS4 O75173 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
SCHEMBL3577317 0.90 MTNR1A (0.49) MTNR1AMTNR1BADRB3FAAHTDP1
SCHEMBL1827989 0.88 MTNR1A (0.45) MTNR1AMTNR1BADRB3FAAHTDP1
SCHEMBL1822702 0.88 ADAMTS4 (0.43) MTNR1AMTNR1BTDP1ADAMTS4
SCHEMBL1825441 0.87 MMP13 (0.39) ADRB3CTSKCTSS
SCHEMBL1825989 0.87 CA1 (0.45) ADRB3CTSKCTSS
SCHEMBL1823487 0.87 MTNR1A (0.43) MTNR1AMTNR1BCTSKCTSSTDP1
SCHEMBL1824628 0.87 MTNR1A (0.48) MTNR1AMTNR1BADRB3FAAH
SCHEMBL1825655 0.87 MTNR1A (0.43) MTNR1AMTNR1BADRB3CTSKFAAH
SCHEMBL1827371 0.86 ADRB3 (0.41) ADRB3FAAH
SCHEMBL1825186 0.84 MTNR1A (0.50) MTNR1AMTNR1BADRB3GPR17FAAH

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 1718/4885ADRB3 1280/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MTNR1A 3986/4885MTNR1B 3105/4885ADRB3 1134/4885

“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.