SCHEMBL1826729

SCHEMBL1826729

N#CC(O)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAOB P27338 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADAMTS4 O75173 1/20 0.42
ENPP3 O14638 6/20 0.42
ENPP1 P22413 6/20 0.42
ENPP2 Q13822 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
ALPL P05186 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL1825349 0.85 MEN1 (0.51) MAPTALDH1A1SMN1; SMN2ENPP3ENPP1
SCHEMBL1827844 0.84 TSHR (0.49) TSHRTDP1MAPTALDH1A1SMN1; SMN2
SCHEMBL1824882 0.82 TDP1 (0.53) TDP1MAPTALDH1A1SMN1; SMN2MAOB
SCHEMBL1825604 0.80 TDP1 (0.57) TDP1MAPTALDH1A1SMN1; SMN2MAOB
SCHEMBL1825498 0.79 TDP1 (0.50) TDP1MAPTALDH1A1SMN1; SMN2MAOB
SCHEMBL1827282 0.78 TDP1 (0.46) TDP1MAPTALDH1A1SMN1; SMN2MAOB
SCHEMBL1825730 0.78 TSHR (0.46) TSHRALDH1A1ENPP3ENPP1CA2
SCHEMBL3838524 0.77 TDP1 (0.62) TDP1MAPTALDH1A1SMN1; SMN2MAOB
SCHEMBL1827607 0.77 TDP1 (0.54) TDP1MAPTALDH1A1SMN1; SMN2MAOB
SCHEMBL1827998 0.77 TDP1 (0.54) TDP1MAPTALDH1A1SMN1; SMN2MAOB

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 TSHR 1200/4885TDP1 4543/4885MAPT 4712/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TSHR 2860/4885TDP1 4702/4885MAPT 2237/4885

“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.