SCHEMBL16748723

SCHEMBL16748723

CCCNc1nc(C(=O)NCCC(=O)O)c(NCCC)nc1C(=O)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LATS1 O95835 1/20 0.39
BCHE P06276 1/20 0.38
BRD4 O60885 7/20 0.38
TDP1 Q9NUW8 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 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
SCHEMBL2846431 0.93 STK17B (0.45) STK17BSTK17AGAAMEN1KMT2A
SCHEMBL2364441 0.89 STK17B (0.40) STK17BSTK17AGAAMEN1KMT2A
SCHEMBL2842705 0.88 STK17B (0.47) STK17BSTK17AGAAMEN1KMT2A
SCHEMBL2838329 0.86 BCHE (0.48) STK17BSTK17AGAAMEN1KMT2A
SCHEMBL16748721 0.85 SIRT5 (0.39) KMT2AKDM4EALDH1A1
SCHEMBL13531612 0.80 STK17B (0.46) STK17BSTK17AGAAMEN1KMT2A
Succinic Acid SCHEMBL29429364 0.77 GAA (0.56) GAAMEN1KMT2ABCHETDP1
SCHEMBL2849313 0.76 BCHE (0.48) GAAMEN1KMT2ABCHEBRD4
SCHEMBL156911 0.76 GAA (0.58) GAAMEN1KMT2ATDP1MALT1
SCHEMBL13510973 0.75 TDP1 (0.41) STK17BSTK17AGAAMEN1KMT2A

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-20150147277-A1 COMPOSITIONS AND METHODS FOR ASSESSING GUT FUNCTION MEDIBEACON INC. 2015-05-28 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-20150147277-A1 COMPOSITIONS AND METHODS FOR ASSESSING GUT FUNCTION FABP2, SLC10A2, SI STK17B 4521/4885STK17A 4033/4885GAA 1587/4885

“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.