SCHEMBL3579998

SCHEMBL3579998

CCOC(=O)CC(CNCc1ccccc1)Cc1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.42
P2RX7 Q99572 6/20 0.41
LTA4H P09960 4/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM4A O75164 1/20 0.39
PPID Q08752 1/20 0.39
PPARG P37231 2/20 0.39
EPHX2 P34913 1/20 0.39
ADAMTS4 O75173 1/20 0.38
PPARA Q07869 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL1825493 0.95 P2RX7 (0.46) SMN1; SMN2ALDH1A1P2RX7KDM4EKDM4A
SCHEMBL1823018 0.91 P2RX7 (0.43) P2RX7
SCHEMBL1823679 0.91 KDM4E (0.41) SMN1; SMN2ALDH1A1P2RX7KDM4EKDM4A
SCHEMBL1824989 0.90 SMN1; SMN2 (0.46) SMN1; SMN2LTA4HPPIDPPARGEPHX2
SCHEMBL1826808 0.89 P2RX7 (0.51) P2RX7LMNA
SCHEMBL1826818 0.88 ADAMTS4 (0.40) SMN1; SMN2ALDH1A1P2RX7KDM4EKDM4A
SCHEMBL1828894 0.87 P2RX7 (0.46) ALDH1A1P2RX7KDM4EKDM4APPARG
SCHEMBL1822355 0.87 ATM (0.48) SMN1; SMN2ALDH1A1P2RX7KDM4EKDM4A
SCHEMBL3572724 0.87 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1P2RX7KDM4EKDM4A
SCHEMBL1826250 0.85 P2RX7 (0.48) P2RX7PKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US 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 SMN1; SMN2 2274/4885ALDH1A1 1099/4885P2RX7 3606/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 SMN1; SMN2 3216/4885ALDH1A1 1440/4885P2RX7 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.