SCHEMBL4291683

SCHEMBL4291683

Cc1nnc(S)n1N=Cc1ccccc1OCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 2/20 0.50
PTGDR2 Q9Y5Y4 4/20 0.48
TDP1 Q9NUW8 3/20 0.47
POLB P06746 1/20 0.45
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42

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 0.86 PTGDR2 (0.48) MEN1KMT2AGAAPTGDR2TDP1
SCHEMBL4291677 0.86 PTGDR2 (0.48) MEN1KMT2AGAAPTGDR2TDP1
SCHEMBL28517834 0.80 HSD17B10 (0.63) MEN1KMT2AGAAHSD17B10USP2
SCHEMBL13780770 0.78 MEN1 (0.50) MEN1KMT2AGAAPTGDR2TDP1
SCHEMBL28521757 0.75 MEN1 (0.50) MEN1KMT2AGAAHSD17B10ALDH1A1
SCHEMBL28527048 0.72 KMT2A (0.47) MEN1KMT2AGAAHSD17B10USP2
SCHEMBL28520498 0.72 NPC1 (0.52) MEN1KMT2AGAAHSD17B10ALDH1A1
SCHEMBL28534889 0.72 NPC1 (0.52) MEN1KMT2AGAAPOLBHSD17B10
SCHEMBL9016508 0.71 PTGDR2 (0.62) MEN1KMT2AGAAPTGDR2TDP1
SCHEMBL28524848 0.70 KMT2A (0.53) MEN1KMT2AGAATDP1ALDH1A1

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 MEN1 3855/4885KMT2A 1575/4885GAA 42/4885

“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.