SCHEMBL1824902

SCHEMBL1824902

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.40
MTNR1B P49286 6/20 0.40
ACACB O00763 3/20 0.39
CXCR2 P25025 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.35
STS P08842 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
SDCBP O00560 1/20 0.34
SDC2 P34741 1/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34

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
SCHEMBL1822310 0.88 MTNR1A (0.46) MTNR1AMTNR1BACACBSMN1; SMN2L3MBTL1
SCHEMBL1823765 0.86 STS (0.44) MTNR1AMTNR1BACACBSMN1; SMN2PPARG
SCHEMBL1823487 0.86 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1SMN1; SMN2TDP1
SCHEMBL1824426 0.85 SYK (0.39) CXCR2ALDH1A1SMN1; SMN2CA12CA1
SCHEMBL1822702 0.85 ADAMTS4 (0.43) MTNR1AMTNR1BALDH1A1SMN1; SMN2TDP1
SCHEMBL1825277 0.84 MTNR1A (0.36) MTNR1AMTNR1BACACBCXCR2ALDH1A1
SCHEMBL1826212 0.82 CA1 (0.49) L3MBTL1CA12CA1CA2CA9
SCHEMBL1827708 0.81 CA2 (0.45) MTNR1AMTNR1BACACBALDH1A1PPARG
SCHEMBL1823783 0.81 MTNR1A (0.39) MTNR1AMTNR1BACACBCXCR2ALDH1A1
SCHEMBL1828756 0.81 PPARG (0.43) MTNR1AMTNR1BACACBALDH1A1SMN1; 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 1718/4885ACACB 2993/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MTNR1A 3986/4885MTNR1B 3105/4885ACACB 2259/4885

“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.