SCHEMBL1825848

SCHEMBL1825848

COC(C#N)c1ccccc1OS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
MAPT P10636 5/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
HTR6 P50406 2/20 0.37
HSD11B1 P28845 1/20 0.37
HSD17B3 P37058 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL1824711 0.91 LMNA (0.46) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL1825042 0.85 ALDH1A1 (0.41) ALDH1A1MAPTMETAP2METAP1L3MBTL1
SCHEMBL1823927 0.84 MAPT (0.42) ALDH1A1MAPTMETAP2METAP1L3MBTL1
SCHEMBL1824028 0.84 CA1 (0.39) ALDH1A1MAPTPKMSMN1; SMN2CA1
SCHEMBL1822319 0.82 ALDH1A1 (0.46) ALDH1A1MAPTMETAP2METAP1L3MBTL1
SCHEMBL3571449 0.82 ALDH1A1 (0.44) ALDH1A1MAPTMETAP2METAP1L3MBTL1
SCHEMBL1823318 0.79 ALDH1A1 (0.46) ALDH1A1MAPTMETAP2METAP1L3MBTL1
SCHEMBL1827103 0.79 ALDH1A1 (0.49) ALDH1A1MAPTMETAP2METAP1L3MBTL1
SCHEMBL1822557 0.77 LMNA (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1825498 0.77 TDP1 (0.50) ALDH1A1MAPTL3MBTL1LMNAHTT

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 1099/4885MAPT 4712/4885METAP2 4509/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885MAPT 2237/4885METAP2 3806/4885

“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.