SCHEMBL1825822

SCHEMBL1825822

N#CC(OCc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ADAMTS4 O75173 1/20 0.39
MAOB P27338 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ENPP3 O14638 3/20 0.38
ENPP1 P22413 3/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 3/20 0.38
ENPP2 Q13822 2/20 0.38
AR P10275 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL1826444 0.92 ALDH1A1 (0.44) MAPTALDH1A1ARCNR2
SCHEMBL1823249 0.86 SGMS2 (0.44) TDP1MAPTALDH1A1MAOBSMN1; SMN2
SCHEMBL1827514 0.85 CA1 (0.40) ALDH1A1MAOBNPC1RAB9ACA2
SCHEMBL1825498 0.82 TDP1 (0.50) TDP1MAPTALDH1A1ADAMTS4MAOB
SCHEMBL1828163 0.81 TDP1 (0.49) TDP1MAPTALDH1A1ADAMTS4MAOB
SCHEMBL1821274 0.79 TDP1 (0.47) TDP1MAPTALDH1A1ADAMTS4MAOB
SCHEMBL1822250 0.79 TDP1 (0.47) TDP1MAPTALDH1A1ADAMTS4MAOB
SCHEMBL3571449 0.79 ALDH1A1 (0.44) MAPTALDH1A1CA2CA1CA9
SCHEMBL1822691 0.79 TDP1 (0.47) TDP1MAPTALDH1A1ADAMTS4MAOB
SCHEMBL1827333 0.79 MEN1 (0.40) MAPTALDH1A1MAOBAR

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 4712/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TDP1 4702/4885MAPT 2237/4885ALDH1A1 1440/4885

“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.