SCHEMBL1825347

SCHEMBL1825347

CCC(C)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
ADRB3 P13945 1/20 0.44
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MAOB P27338 2/20 0.42
ADAMTS4 O75173 1/20 0.41
F2 P00734 1/20 0.40
PTGS1 P23219 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 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
SCHEMBL1825091 0.89 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL1825788 0.89 ALDH1A1 (0.47) ALDH1A1TDP1L3MBTL1GAAMAPK1
SCHEMBL1825104 0.85 TDP1 (0.54) ALDH1A1SMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL26317205 0.85 TDP1 (0.46) ALDH1A1SMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL1825458 0.84 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL1825480 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL1824420 0.81 HDAC4 (0.49) ALDH1A1HDAC4HDAC2HDAC8PTGS1
SCHEMBL2831634 0.81 PTGS1 (0.47) ALDH1A1SMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL2834837 0.81 PTGS1 (0.64) ALDH1A1SMN1; SMN2TDP1L3MBTL1MAPK1
SCHEMBL1821446 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TDP1L3MBTL1GAA

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 2274/4885TDP1 4543/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885SMN1; SMN2 3216/4885TDP1 4702/4885

“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.