SCHEMBL1825655

SCHEMBL1825655

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.43
MTNR1B P49286 9/20 0.43
ADRB3 P13945 1/20 0.39
MMP13 P45452 1/20 0.38
FAAH O00519 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSK P43235 1/20 0.35

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
SCHEMBL1823707 0.92 SYK (0.41) ADRB3MMP13FAAHALDH1A1SMN1; SMN2
SCHEMBL3577317 0.89 MTNR1A (0.49) MTNR1AMTNR1BADRB3FAAHALDH1A1
SCHEMBL1828075 0.89 ALDH1A1 (0.41) MTNR1AMTNR1BMMP13ALDH1A1SMN1; SMN2
SCHEMBL1827989 0.88 MTNR1A (0.45) MTNR1AMTNR1BADRB3FAAHALDH1A1
SCHEMBL1825084 0.88 SYK (0.46) FAAHCTSK
SCHEMBL1828123 0.87 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1
SCHEMBL3572152 0.87 SYK (0.40) MTNR1AMTNR1BADRB3MMP13FAAH
SCHEMBL1823643 0.87 MTNR1A (0.44) MTNR1AMTNR1BADRB3FAAHCTSK
SCHEMBL1823029 0.86 ATM (0.43) ADRB3FAAH
SCHEMBL1824628 0.86 MTNR1A (0.48) MTNR1AMTNR1BADRB3MMP13FAAH

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.