SCHEMBL1827447

SCHEMBL1827447

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.43
CA1 P00915 6/20 0.41
CA2 P00918 5/20 0.41
EGFR P00533 1/20 0.39
ACACB O00763 1/20 0.39
FAAH O00519 1/20 0.38
CA12 O43570 4/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA9 Q16790 3/20 0.38
MMP13 P45452 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
GPR17 Q13304 1/20 0.36
KDM4A O75164 1/20 0.36
ALOX5 P09917 1/20 0.36
NQO2 P16083 1/20 0.36

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
SCHEMBL1826091 0.92 GPR17 (0.42) CA1CA2EGFRACACBCA12
SCHEMBL1823722 0.88 EGFR (0.48) CYP2C19CA1CA2EGFRCA12
SCHEMBL1823064 0.87 CA1 (0.40) CA1CA2EGFRACACBFAAH
SCHEMBL1822759 0.86 CA1 (0.40) CYP2C19CA1CA2ACACBCA12
SCHEMBL1827247 0.86 CA1 (0.40) CA1CA2EGFRACACBFAAH
SCHEMBL1823079 0.84 P2RX7 (0.40) CA1CA2EGFRACACBFAAH
SCHEMBL1825189 0.79 GPR17 (0.41) CA1CA2EGFRACACBCA12
SCHEMBL1826259 0.79 P2RX7 (0.46) CA1EGFRCA12CA7CA14
SCHEMBL1823356 0.79 GPR17 (0.40) CA1CA2EGFRACACBCA12
SCHEMBL1825874 0.78 EGFR (0.49) CA1CA2EGFRCA12ALDH1A1

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 CYP2C19 174/4885CA1 1603/4885CA2 730/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CYP2C19 23/4885CA1 1728/4885CA2 349/4885

“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.