SCHEMBL1828685

SCHEMBL1828685

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACACB O00763 3/20 0.44
KDM4E B2RXH2 1/20 0.43
KDM4A O75164 1/20 0.43
P2RX7 Q99572 7/20 0.42
MMEL1 Q495T6 2/20 0.41
ADAMTS4 O75173 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HSD11B1 P28845 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
SCHEMBL1825025 0.92 ENPP1 (0.47) ALDH1A1ACACBKDM4EKDM4AP2RX7
SCHEMBL1824740 0.91 P2RX7 (0.47) KDM4EKDM4AP2RX7
SCHEMBL1821833 0.90 KDM4E (0.45) ALDH1A1SMN1; SMN2ACACBKDM4EKDM4A
SCHEMBL1825988 0.88 P2RX7 (0.53) P2RX7MMEL1
SCHEMBL1824151 0.87 KDM4E (0.43) ALDH1A1SMN1; SMN2ACACBKDM4EKDM4A
SCHEMBL1825115 0.87 P2RX7 (0.55) P2RX7
SCHEMBL1825368 0.87 ABCB1 (0.50) ALDH1A1SMN1; SMN2KDM4EKDM4AP2RX7
SCHEMBL1823803 0.86 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EKDM4AP2RX7
SCHEMBL1828885 0.86 ABCB1 (0.51) ALDH1A1SMN1; SMN2ACACBKDM4EKDM4A
SCHEMBL1823397 0.85 ACACB (0.48) ACACBMMEL1

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 ALDH1A1 1099/4885SMN1; SMN2 2274/4885ACACB 2993/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885SMN1; SMN2 3216/4885ACACB 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.