SCHEMBL1826409

SCHEMBL1826409

COC(=O)CC(CNC(=O)OC(C)(C)C)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ADRB3 P13945 1/20 0.38
SYK P43405 1/20 0.37
ABCB1 P08183 1/20 0.36
EGFR P00533 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MMP13 P45452 1/20 0.36
ACACB O00763 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FAAH O00519 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 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
SCHEMBL1824409 0.95 ABCB1 (0.41) MTNR1AMTNR1BCA1CA2ADRB3
SCHEMBL1827212 0.93 GPR17 (0.38) MTNR1AMTNR1BCA1CA2EGFR
SCHEMBL1822884 0.92 ADRB3 (0.38) MTNR1AMTNR1BF2F10PRSS1
SCHEMBL1822398 0.92 SYK (0.39) MTNR1AMTNR1BF10CA1CA2
SCHEMBL1825049 0.90 SYK (0.46) MTNR1AMTNR1BSYKMEN1KMT2A
SCHEMBL1825302 0.89 EGFR (0.42) CA1CA2SYKABCB1EGFR
SCHEMBL1827071 0.88 MTNR1A (0.40) MTNR1AMTNR1BF2F10PRSS1
SCHEMBL1824915 0.88 GPR17 (0.39) MTNR1AMTNR1BCA1CA2EGFR
SCHEMBL1824491 0.87 MTNR1A (0.49) MTNR1AMTNR1BCA2ADRB3ABCB1
SCHEMBL1823694 0.87 MTNR1A (0.55) MTNR1AMTNR1BF2F10PRSS1

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 1718/4885F2 701/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MTNR1A 3986/4885MTNR1B 3105/4885F2 805/4885

“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.