SCHEMBL4898258

SCHEMBL4898258

COCC(C)(C)OC(=O)c1c(N)nc(OC)n1-c1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.45
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 7/20 0.43
HSD17B10 Q99714 5/20 0.43
HPGD P15428 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CASP1 P29466 3/20 0.43
USP2 O75604 2/20 0.43
MAPK1 P28482 2/20 0.43
ALOX15 P16050 2/20 0.43
CASP7 P55210 1/20 0.43
MAPT P10636 4/20 0.40
EDNRA P25101 4/20 0.39
EDNRB P24530 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL4897401 0.81 MAPT (0.43) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL3289003 0.81 MAPK1 (0.40) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL4787809 0.81 SMN1; SMN2 (0.40) SHMT2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4787993 0.78 EDNRB (0.40) SHMT2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3286170 0.67 ALDH1A1 (0.37) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL15004933 0.62 ALDH1A1 (0.61) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL17792714 0.62 SHMT2 (1.00) SHMT2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3290393 0.61 LMNA (0.41) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL27981531 0.58 EDNRA (0.57) ALDH1A1MAPK1MAPTEDNRAEDNRB
SCHEMBL6311909 0.58 POLB (0.49) SHMT2KDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 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 (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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 GABRB2, GABRA2, GABBR2 SHMT2 3751/4885KDM4E 2374/4885ALDH1A1 2271/4885

“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.