SCHEMBL1824409

SCHEMBL1824409

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
ADRB3 P13945 1/20 0.38
SYK P43405 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
EGFR P00533 1/20 0.37
MMP13 P45452 1/20 0.37
ACACB O00763 1/20 0.36
FAAH O00519 1/20 0.36
CA9 Q16790 1/20 0.35
CCR5 P51681 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL1826409 0.95 MTNR1A (0.41) ABCB1MTNR1AMTNR1BCA2CA1
SCHEMBL1822884 0.93 ADRB3 (0.38) ABCB1MTNR1AMTNR1BCA2CA1
SCHEMBL1822398 0.93 SYK (0.39) ABCB1MTNR1AMTNR1BCA2CA1
SCHEMBL1824915 0.92 GPR17 (0.39) MTNR1AMTNR1BCA2CA1EGFR
SCHEMBL1824491 0.92 MTNR1A (0.49) ABCB1MTNR1AMTNR1BCA2ADRB3
SCHEMBL1825745 0.91 SYK (0.44) ABCB1MTNR1AMTNR1BCA1SYK
SCHEMBL1825049 0.91 SYK (0.46) MTNR1AMTNR1BSYKFAAH
SCHEMBL1825617 0.89 ABCB1 (0.44) ABCB1CA2CA1SYKCTSS
SCHEMBL1822248 0.88 MTNR1A (0.38) ABCB1MTNR1AMTNR1BCA2CA1
SCHEMBL1827212 0.88 GPR17 (0.38) MTNR1AMTNR1BCA2CA1EGFR

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 ABCB1 1436/4885MTNR1A 2715/4885MTNR1B 1718/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ABCB1 209/4885MTNR1A 3986/4885MTNR1B 3105/4885

“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.