SCHEMBL1823679

SCHEMBL1823679

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
KDM4A O75164 1/20 0.41
MAOB P27338 1/20 0.40
ATM Q13315 2/20 0.40
BACE1 P56817 2/20 0.40
MMP1 P03956 2/20 0.40
CTSD P07339 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL1828894 0.94 P2RX7 (0.46) KDM4EKDM4AATMALDH1A1P2RX7
SCHEMBL3579998 0.91 SMN1; SMN2 (0.45) KDM4EKDM4AATMALDH1A1SMN1; SMN2
SCHEMBL1826818 0.91 ADAMTS4 (0.40) KDM4EKDM4AATMBACE1MMP1
SCHEMBL1822355 0.90 ATM (0.48) KDM4EKDM4AATMBACE1ALDH1A1
SCHEMBL1823018 0.90 P2RX7 (0.43) P2RX7
SCHEMBL1822807 0.89 MAOB (0.41) MAOBATMMMP1CTSDSMN1; SMN2
SCHEMBL1825493 0.86 P2RX7 (0.46) KDM4EKDM4AATMALDH1A1SMN1; SMN2
SCHEMBL1826739 0.86 KDM4E (0.41) KDM4EKDM4AMAOBMMP1ALDH1A1
SCHEMBL1821753 0.85 P2RX7 (0.44) KDM4EKDM4AALDH1A1P2RX7ENPP1
SCHEMBL1826808 0.85 P2RX7 (0.51) P2RX7

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 1127/4885MAOB 334/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KDM4E 2704/4885KDM4A 1554/4885MAOB 107/4885

“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.