SCHEMBL2632650

SCHEMBL2632650

CNCCOCC(N)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
KISS1R Q969F8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TLR2 O60603 2/20 0.33
PLA2G2C Q5R387 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL23279212 0.78 KISS1R (0.38) KISS1RKDM4ELMNATDP1PLA2G2C
SCHEMBL26763535 0.78 HSD17B10 (0.46) NOS3NOS1NOS2KDM4ETDP1
SCHEMBL683686 0.74 TDP1 (0.43) NOS3NOS1NOS2LMNATDP1
SCHEMBL419528 0.74 TDP1 (0.43) NOS3NOS1NOS2LMNATDP1
SCHEMBL10187564 0.74 NOS3 (0.42) NOS3NOS1NOS2KDM4E
SCHEMBL25975660 0.73
SCHEMBL10126254 0.73
SCHEMBL3658028 0.73
SCHEMBL12513982 0.73
SCHEMBL12965970 0.72

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
WO-2012050227-A1 PEPTIDE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 WO disclosed
US-20120094898-A1 PEPTIDE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2206721-A1 NEUROMEDIN U DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-07-14 EP 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-20120094898-A1 PEPTIDE DERIVATIVE NPPA, LNPEP, NGLY1 NOS3 879/4885NOS1 1283/4885NOS2 853/4885

“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.