SCHEMBL1824945

SCHEMBL1824945

CC(C)(C)OC(=O)NCC(C(=O)OCc1ccccc1)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
P2RX7 Q99572 8/20 0.42
CA1 P00915 2/20 0.39
MAPT P10636 1/20 0.38
FAAH O00519 1/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
BCL2 P10415 1/20 0.37
NTSR1 P30989 1/20 0.37
MMP13 P45452 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ADRB3 P13945 1/20 0.37
POLB P06746 1/20 0.37
GPR55 Q9Y2T6 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
SCHEMBL1826157 0.95 P2RX7 (0.49) SYKP2RX7MAPT
SCHEMBL1825084 0.93 SYK (0.46) SYKP2RX7CA1MAPTFAAH
SCHEMBL1823707 0.91 SYK (0.41) SYKP2RX7CA1FAAHCA12
SCHEMBL1826404 0.91 SYK (0.53) SYKCA1MAPTFAAHCA12
SCHEMBL1826055 0.91 SYK (0.41) SYKP2RX7CA1FAAHCA12
SCHEMBL3572152 0.91 SYK (0.40) SYKP2RX7CA1FAAHMMP13
SCHEMBL1823736 0.90 CA1 (0.42) P2RX7CA1FAAHCA12MMP13
SCHEMBL1823128 0.90 SYK (0.51) SYKP2RX7CA1MAPTCA12
SCHEMBL1825441 0.88 MMP13 (0.39) SYKCA1MMP13CTSSCTSK
SCHEMBL1825064 0.88 P2RX7 (0.51) SYKP2RX7CA1MAPT

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 1520/4885P2RX7 3606/4885CA1 1603/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 SYK 1172/4885P2RX7 2747/4885CA1 1728/4885

“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.