SCHEMBL3239791

SCHEMBL3239791

C=CCC(O)c1cccn1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 5/20 0.50
PKM P14618 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
C5AR1 P21730 1/20 0.39
VEGFA P15692 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 1/20 0.38
UBE2N P61088 1/20 0.38
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
ALDH3A1 P30838 1/20 0.36
HTT P42858 1/20 0.36
NOD1 Q9Y239 1/20 0.36
AGTR1 P30556 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL13458853 0.88 TDP1 (0.41) RAPGEF4PKML3MBTL1HTT
SCHEMBL4827468 0.79 RAPGEF4 (0.55) RAPGEF4PKMCA1CA2VEGFA
SCHEMBL5776529 0.75 RAPGEF4 (0.56) RAPGEF4PKMCA1CA2L3MBTL1
SCHEMBL9991194 0.72 L3MBTL1 (0.44) RAPGEF4PKMCA1CA2VEGFA
SCHEMBL30892366 0.70 L3MBTL1 (0.50) RAPGEF4PKMCA1CA2L3MBTL1
SCHEMBL3188642 0.70 RAPGEF4 (0.61) RAPGEF4PKMCA1CA2L3MBTL1
SCHEMBL3834757 0.69 RAPGEF4 (0.65) RAPGEF4PKMCA1CA2L3MBTL1
SCHEMBL29179097 0.69 RAPGEF4 (0.74) RAPGEF4PKMCA1CA2VEGFA
SCHEMBL16540512 0.69 RAPGEF4 (0.56) RAPGEF4PKMCA1CA2VEGFA
SCHEMBL10017637 0.67 TLR9 (0.47) CA1CA2C5AR1KDM4EGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031562-A1 Method for Forming Allylic Alcohols THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) 2014-01-30 US disclosed
US-20140031562-A1 Method for Forming Allylic Alcohols THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) 2014-01-30 US disclosed
WO-2010025366-A2 METHOD FOR FORMING ALLYLIC ALCOHOLS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-04 WO 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 (1 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-20140031562-A1 Method for Forming Allylic Alcohols ADH1A, ADH1C, ADH5 RAPGEF4 1098/4885PKM 1661/4885CA1 1051/4885

“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.