SCHEMBL1824779

SCHEMBL1824779

CCOC(=O)CC(CNC(=O)OCc1ccccc1)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
F10 P00742 1/20 0.42
HSD17B10 Q99714 1/20 0.39
P2RX7 Q99572 4/20 0.39
CASP1 P29466 2/20 0.39
PKM P14618 1/20 0.39
CA1 P00915 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FAAH O00519 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SYK P43405 1/20 0.37
CACNA1H O95180 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
SCHEMBL1825484 0.96 P2RX7 (0.43) MTNR1AMTNR1BF10P2RX7
SCHEMBL1824502 0.94 MTNR1A (0.42) MTNR1AMTNR1BP2RX7CASP1CA1
SCHEMBL1825560 0.93 MTNR1A (0.45) MTNR1AMTNR1BF10P2RX7CASP1
SCHEMBL1827317 0.92 P2RX7 (0.44) MTNR1AMTNR1BP2RX7CA1
SCHEMBL3578422 0.91 MTNR1A (0.44) MTNR1AMTNR1BF10HSD17B10CASP1
SCHEMBL1823846 0.90 CACNA1H (0.45) MTNR1AMTNR1BF10P2RX7CASP1
SCHEMBL1824695 0.90 P2RX7 (0.43) HSD17B10P2RX7CASP1PKMCA1
SCHEMBL1828157 0.89 P2RX7 (0.44) MTNR1AMTNR1BP2RX7CA1
SCHEMBL1825745 0.89 SYK (0.44) MTNR1AMTNR1BP2RX7CASP1CA1
SCHEMBL1827258 0.88 MTNR1A (0.53) MTNR1AMTNR1BF10PKMKMT2A

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 1718/4885F10 1460/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MTNR1A 3986/4885MTNR1B 3105/4885F10 1977/4885

“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.