SCHEMBL4291677

SCHEMBL4291677

[CH2]c1nnc(S)n1N=Cc1ccccc1OCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.48
TDP1 Q9NUW8 3/20 0.47
KMT2A Q03164 3/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 2/20 0.42
PLA2G1B P04054 1/20 0.42
HPGD P15428 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
RECQL P46063 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41

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
SCHEMBL4291674 1.00 PTGDR2 (0.48) PTGDR2TDP1KMT2AGAAMEN1
SCHEMBL4291683 0.86 MEN1 (0.50) PTGDR2TDP1KMT2AGAAMEN1
SCHEMBL13780770 0.78 MEN1 (0.50) PTGDR2TDP1KMT2AGAAMEN1
SCHEMBL6687183 0.68 PTGDR2 (0.72) PTGDR2TDP1KMT2AGAAMEN1
SCHEMBL9016508 0.68 PTGDR2 (0.62) PTGDR2TDP1KMT2AGAAMEN1
SCHEMBL354835 0.67 PTGDR2 (1.00) PTGDR2TDP1KMT2AGAAMEN1
SCHEMBL28517834 0.65 HSD17B10 (0.63) KMT2AGAAMEN1ALDH1A1KDM4E
SCHEMBL3706902 0.64 PTGDR2 (0.56) PTGDR2TDP1KMT2AGAAMEN1
SCHEMBL11749993 0.64 KDM4E (0.57) PTGDR2TDP1KMT2AGAAMEN1
SCHEMBL11749279 0.64 KMT2A (0.57) PTGDR2TDP1KMT2AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090175805-A1 Neuraminidase Inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-07-09 US claimed
WO-2008054475-A2 NEURAMINIDASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-05-08 WO claimed
US-20090175805-A1 Neuraminidase Inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-07-09 US disclosed
WO-2008054475-A2 NEURAMINIDASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-05-08 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-20090175805-A1 Neuraminidase Inhibitors and uses thereof ENGASE, NEU1, NEU2 PTGDR2 4116/4885TDP1 822/4885KMT2A 1575/4885

“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.