SCHEMBL1825752

SCHEMBL1825752

CC(=O)NCC(CC(=O)OC(C)C)Cc1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KDM4A O75164 1/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ENPP3 O14638 6/20 0.38
ENPP1 P22413 6/20 0.38
ENPP2 Q13822 3/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 1/20 0.36
MAPT P10636 1/20 0.36
ACACB O00763 1/20 0.35

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
SCHEMBL1826739 0.91 KDM4E (0.41) ADAMTS4KDM4EKDM4AMTNR1AMTNR1B
SCHEMBL3572724 0.88 ALDH1A1 (0.43) ADAMTS4KDM4EKDM4AMTNR1AMTNR1B
SCHEMBL1823060 0.88 P2RX7 (0.46) P2RX7MAPT
SCHEMBL3578775 0.88 ABCB1 (0.45) ADAMTS4KDM4EKDM4AALDH1A1LMNA
SCHEMBL1825966 0.87 ABCB1 (0.47) ADAMTS4KDM4EKDM4AMTNR1AMTNR1B
SCHEMBL1827370 0.87 P2RX7 (0.44) MTNR1AMTNR1BP2RX7
SCHEMBL1826818 0.87 ADAMTS4 (0.40) ADAMTS4KDM4EKDM4AALDH1A1SMN1; SMN2
SCHEMBL1823626 0.86 PPARG (0.39) MTNR1AMTNR1BALDH1A1SMN1; SMN2ACACB
SCHEMBL1823446 0.83 MTNR1A (0.43) ADAMTS4KDM4EMTNR1AMTNR1BALDH1A1
SCHEMBL1824151 0.83 KDM4E (0.43) ADAMTS4KDM4EKDM4AALDH1A1SMN1; SMN2

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 ADAMTS4 4799/4885KDM4E 2554/4885KDM4A 1127/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ADAMTS4 4532/4885KDM4E 2704/4885KDM4A 1554/4885

“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.