SCHEMBL1826441

SCHEMBL1826441

CCC(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
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ENPP1 P22413 7/20 0.44
ENPP3 O14638 6/20 0.44
HSD11B1 P28845 1/20 0.43
HSD17B3 P37058 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KDM4A O75164 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 1/20 0.42

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
SCHEMBL1824943 0.87 ENPP1 (0.49) ALDH1A1MAPTKMT2AMEN1RECQL
SCHEMBL10180331 0.85 TDP1 (0.54) TDP1ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL1826558 0.81 TDP1 (0.50) TDP1ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL2986520 0.81 TDP1 (0.61) TDP1ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL3838595 0.81 TDP1 (0.61) TDP1ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL1821226 0.80 MAPT (0.47) TDP1ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL1821452 0.80 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AMEN1NPC1
Hydrogen Sulfide SCHEMBL15619066 0.80 TDP1 (0.59) TDP1ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL1825820 0.79 TDP1 (0.48) TDP1ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL1823722 0.79 EGFR (0.48) TDP1ALDH1A1SMN1; SMN2MAPTKMT2A

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 4543/4885ALDH1A1 1099/4885SMN1; SMN2 2274/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TDP1 4702/4885ALDH1A1 1440/4885SMN1; SMN2 3216/4885

“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.