SCHEMBL1826404

SCHEMBL1826404

CC(C)(C)OC(=O)NCC(C(=O)OCc1ccccc1)c1cccc(OS(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.53
CA1 P00915 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CTSS P25774 2/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
NTSR1 P30989 1/20 0.38
IDO1 P14902 1/20 0.38
POLB P06746 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
FAAH O00519 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB3 P13945 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL1824565 0.92 SYK (0.50) SYKCA1CA12CTSSCTSK
SCHEMBL1822907 0.91 CA1 (0.43) SYKCA1CA12CTSSCTSB
SCHEMBL1824945 0.91 SYK (0.48) SYKCA1CA12CA7CA14
SCHEMBL1826635 0.89 SYK (0.55) SYKCA1CA12CA7CA14
SCHEMBL1820861 0.89 SYK (0.41) SYKCA1CA12CTSSCTSK
SCHEMBL1823955 0.88 SYK (0.41) SYKCA1CA12CTSSCTSK
SCHEMBL1825407 0.88 SYK (0.40) SYKCA1CA12CTSSCTSK
SCHEMBL1826157 0.87 P2RX7 (0.49) SYKMAPT
SCHEMBL1823944 0.87 MTNR1A (0.50) CA1CA2ACHEFAAHADRB2
SCHEMBL1829064 0.86 HSD17B10 (0.47) SYKCA1CA12CTSSCA2

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 SYK 1520/4885CA1 1603/4885CA12 1498/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 SYK 1172/4885CA1 1728/4885CA12 670/4885

“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.