SCHEMBL1823722

SCHEMBL1823722

CC(C)(C)OC(=O)NCC(C)(O)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
P2RX7 Q99572 8/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
ENPP1 P22413 2/20 0.42
ENPP3 O14638 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KDM4A O75164 1/20 0.41
ADAMTS4 O75173 1/20 0.40

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
SCHEMBL1825874 0.90 EGFR (0.49) EGFRALDH1A1MEN1MAPTRECQL
SCHEMBL1827447 0.88 CYP2C19 (0.43) EGFRCYP2C19ALDH1A1SMN1; SMN2CA12
SCHEMBL1825979 0.86 EGFR (0.46) EGFRALDH1A1MEN1MAPTRECQL
SCHEMBL3571453 0.85 EGFR (0.46) EGFRALDH1A1MEN1MAPTRECQL
SCHEMBL1825872 0.84 CA1 (0.43) EGFRCYP2C19ALDH1A1MAPTCA12
SCHEMBL1825176 0.83 P2RX7 (0.48) EGFRALDH1A1MEN1MAPTRECQL
SCHEMBL1826091 0.79 GPR17 (0.42) EGFRALDH1A1MEN1MAPTKMT2A
SCHEMBL1825929 0.79 EGFR (0.50) EGFRALDH1A1MEN1MAPTRECQL
SCHEMBL1826441 0.79 TDP1 (0.51) CYP2C19ALDH1A1MEN1MAPTRECQL
SCHEMBL1822824 0.78 EGFR (0.45) EGFRALDH1A1P2RX7SMN1; SMN2CA12

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 EGFR 1025/4885CYP2C19 174/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 EGFR 1471/4885CYP2C19 23/4885ALDH1A1 1440/4885

“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.