SCHEMBL1821833

SCHEMBL1821833

COC(=O)CC(Cc1ccc(OS(=O)(=O)c2ccccc2)cc1)NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
KDM4A O75164 1/20 0.45
ACACB O00763 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADAMTS4 O75173 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
P2RX7 Q99572 1/20 0.40
MAOB P27338 1/20 0.40
ENPP3 O14638 3/20 0.39
ENPP1 P22413 3/20 0.39
CA2 P00918 1/20 0.39
ENPP2 Q13822 1/20 0.39
CA9 Q16790 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 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
SCHEMBL1824151 0.90 KDM4E (0.43) KDM4EKDM4AACACBALDH1A1SMN1; SMN2
SCHEMBL1828685 0.90 ALDH1A1 (0.44) KDM4EKDM4AACACBALDH1A1SMN1; SMN2
SCHEMBL1823320 0.90 ENPP1 (0.46) KDM4EKDM4AACACBALDH1A1SMN1; SMN2
SCHEMBL1824740 0.89 P2RX7 (0.47) KDM4EKDM4AP2RX7
SCHEMBL1828885 0.89 ABCB1 (0.51) KDM4EKDM4AACACBALDH1A1SMN1; SMN2
SCHEMBL1826726 0.86 P2RX7 (0.53) P2RX7CTRB1
SCHEMBL1828399 0.86 ABCB1 (0.52) KDM4EKDM4AALDH1A1SMN1; SMN2LMNA
SCHEMBL1823666 0.85 KDM4E (0.42) KDM4EKDM4AALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL1826291 0.84 ACACB (0.46) ACACB
SCHEMBL1825115 0.84 P2RX7 (0.55) LMNAP2RX7

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 1127/4885ACACB 2993/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KDM4E 2704/4885KDM4A 1554/4885ACACB 2259/4885

“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.