SCHEMBL1823744

SCHEMBL1823744

COC(=O)CC(N)(Cc1ccccc1)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.39
MMP13 P45452 3/20 0.39
MMP9 P14780 2/20 0.39
ALDH1A1 P00352 1/20 0.39
STS P08842 1/20 0.37
CA12 O43570 5/20 0.37
CA9 Q16790 5/20 0.37
CA2 P00918 5/20 0.37
CA1 P00915 4/20 0.37
PTPN1 P18031 2/20 0.37
PTPN2 P17706 1/20 0.37
PTPRA P18433 1/20 0.37
PTPRB P23467 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
FAAH O00519 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
SCHEMBL1824444 0.88 PPARG (0.41) ALDH1A1STSPTPN1PTPRBRECQL
SCHEMBL1823977 0.88 ALDH1A1 (0.42) MMP1MMP13MMP9ALDH1A1CA9
SCHEMBL1823964 0.88 CA1 (0.41) ALDH1A1CA12CA9CA2CA1
SCHEMBL3576949 0.88 CA1 (0.37) MMP1MMP13MMP9STSCA12
SCHEMBL1825871 0.87 TSHR (0.43) MMP1MMP13MMP9ALDH1A1STS
SCHEMBL1822735 0.85 ALDH1A1 (0.45) ALDH1A1RECQL
SCHEMBL3571109 0.80 CA1 (0.43) ALDH1A1CA12CA9CA2CA1
SCHEMBL1824717 0.77 KDM4E (0.39) MMP1MMP13MMP9ALDH1A1SMN1; SMN2
SCHEMBL1825774 0.77 HSD11B1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2RECQL
SCHEMBL1823040 0.77 TSHR (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2RECQL

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 MMP1 4623/4885MMP13 4589/4885MMP9 4447/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MMP1 4193/4885MMP13 4114/4885MMP9 4101/4885

“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.