SCHEMBL1824717

SCHEMBL1824717

CC(C)(C)OC(=O)CC(N)(Cc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
KDM4A O75164 1/20 0.39
P2RX7 Q99572 8/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ENPP1 P22413 2/20 0.38
ENPP3 O14638 1/20 0.38
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
CETP P11597 3/20 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
SCHEMBL1822102 0.94 P2RX7 (0.46) KDM4EKDM4AP2RX7ALDH1A1MAPT
SCHEMBL1823977 0.89 ALDH1A1 (0.42) KDM4EKDM4ATDP1ALDH1A1MAPT
SCHEMBL3576949 0.89 CA1 (0.37) RECQLSMN1; SMN2MMP1MMP9MMP13
SCHEMBL1825774 0.87 HSD11B1 (0.44) KDM4EKDM4ATDP1ALDH1A1MAPT
SCHEMBL1823040 0.86 TSHR (0.41) KDM4EKDM4ATDP1ALDH1A1MAPT
SCHEMBL1824642 0.86 TDP1 (0.40) P2RX7TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1822735 0.83 ALDH1A1 (0.45) KDM4EKDM4AP2RX7ALDH1A1MAPT
SCHEMBL1826492 0.82 TDP1 (0.41) KDM4EKDM4AP2RX7TDP1ALDH1A1
SCHEMBL1827801 0.82 ALDH1A1 (0.45) P2RX7ALDH1A1MAPTMEN1KMT2A
SCHEMBL1826439 0.81 LMNA (0.48) P2RX7ALDH1A1MAPTMEN1KMT2A

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 KDM4E 2554/4885KDM4A 1127/4885P2RX7 3606/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KDM4E 2704/4885KDM4A 1554/4885P2RX7 2747/4885

“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.