SCHEMBL1826419

SCHEMBL1826419

CC(=O)NCC(CC(=O)OC(C)(C)C)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
ABCB1 P08183 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ADAMTS4 O75173 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
P2RX7 Q99572 2/20 0.37
ENPP3 O14638 2/20 0.36
ENPP1 P22413 2/20 0.36
EGFR P00533 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MMP13 P45452 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
SCHEMBL1825617 0.92 ABCB1 (0.44) ABCB1ALDH1A1SMN1; SMN2ADAMTS4TDP1
SCHEMBL1826646 0.89 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL1824491 0.89 MTNR1A (0.49) MTNR1AMTNR1BABCB1ALDH1A1SMN1; SMN2
SCHEMBL1825302 0.87 EGFR (0.42) ABCB1ALDH1A1MAPTSMN1; SMN2ADAMTS4
SCHEMBL1825852 0.86 P2RX7 (0.47) ABCB1MAPTP2RX7CA2
SCHEMBL1825078 0.86 ALDH1A1 (0.44) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL1823446 0.86 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL1824474 0.86 MTNR1A (0.38) MTNR1AMTNR1BABCB1ALDH1A1CA2
SCHEMBL1823915 0.86 ATM (0.44) ABCB1ALDH1A1SMN1; SMN2ADAMTS4P2RX7
SCHEMBL1824922 0.84 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1KMT2ASMN1; SMN2

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 1718/4885ABCB1 1436/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MTNR1A 3986/4885MTNR1B 3105/4885ABCB1 209/4885

“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.