SCHEMBL1821702

SCHEMBL1821702

COC(C=O)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
MAPT P10636 4/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 3/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 2/20 0.42
ALDH1A1 P00352 4/20 0.42
ADAMTS4 O75173 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 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
SCHEMBL1823501 0.87 ALDH1A1 (0.51) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL1825746 0.85 TDP1 (0.51) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1824763 0.83 TDP1 (0.47) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1825047 0.82 TDP1 (0.54) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1822250 0.81 TDP1 (0.47) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1826857 0.80 TDP1 (0.56) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1823950 0.80 MMP2 (0.36) HTTALDH1A1CA12CA2ALPL
SCHEMBL1827998 0.79 TDP1 (0.54) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4600072 0.79 TDP1 (0.54) TDP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1825483 0.78 TDP1 (0.53) TDP1MAPTNPC1RAB9ASMN1; 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 TDP1 4543/4885MAPT 4712/4885NPC1 928/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TDP1 4702/4885MAPT 2237/4885NPC1 707/4885

“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.