SCHEMBL1823928

SCHEMBL1823928

N#CCC(=O)OCc1ccccc1OS(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
DHODH Q02127 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
HSD11B1 P28845 1/20 0.34
HSD17B3 P37058 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1822498 0.90 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1DHODH
SCHEMBL1824773 0.84 MEN1 (0.41) ALDH1A1MAPTKMT2AMEN1DHODH
SCHEMBL3580857 0.83 DHODH (0.49) ALDH1A1MAPTKMT2AMEN1DHODH
SCHEMBL1827283 0.80 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2PKML3MBTL1
SCHEMBL1823221 0.77 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL1823488 0.74 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1DHODH
SCHEMBL20523894 0.72 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL187996 0.71 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AL3MBTL1LMNA
SCHEMBL1822181 0.71 DHODH (0.59) ALDH1A1MAPTKMT2AMEN1DHODH
SCHEMBL3721270 0.71 MAPT (0.49) ALDH1A1MAPTDHODHSMN1; SMN2NPC1

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 4712/4885KMT2A 1068/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885MAPT 2237/4885KMT2A 1084/4885

“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.