SCHEMBL5847744

SCHEMBL5847744

CC(C)(C)OC(=O)OC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NPY4R P50391 7/20 0.36
NPY1R P25929 5/20 0.36
DPP7 Q9UHL4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPY2R P49146 4/20 0.33
NPY5R Q15761 4/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
OTC P00480 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL29171923 0.93 MEN1 (0.36) MEN1GAAKMT2AMAOAMAOB
SCHEMBL16862525 0.89 MEN1 (0.43) MEN1GAAKMT2AMAOAMAOB
SCHEMBL8975661 0.89 MEN1 (0.45) MEN1GAAKMT2AMAOAMAOB
SCHEMBL604855 0.89 MEN1 (0.45) MEN1GAAKMT2AMAOAMAOB
SCHEMBL604856 0.89 MEN1 (0.45) MEN1GAAKMT2AMAOAMAOB
Hydrochloric Acid SCHEMBL27482850 0.87 MEN1 (0.44) MEN1GAAKMT2AMAOAMAOB
Hydrochloric Acid SCHEMBL29398231 0.87 MEN1 (0.44) MEN1GAAKMT2AMAOAMAOB
Hydrochloric Acid SCHEMBL8376792 0.87 MEN1 (0.44) MEN1GAAKMT2AMAOAMAOB
SCHEMBL15891 0.87 NPY4R (0.38) MEN1KMT2ANPY4RNPY1RDPP7
SCHEMBL3406325 0.86 NPY4R (0.37) MEN1KMT2ANPY4RNPY1RDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015019-B2 1-O-L-arginyl ester 3-O-monoacyl glycerides and 1-O-L-arginyl ester 2,3-O-diacyl glycerides type surface active agents CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2006-03-21 US disclosed
US-20030044984-A1 1-O-L-arginyl ester 3-O-monoacyl glycerides and 1-O-L-arginyl ester 2,3-O-diacyl glycerides type surface active agents CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2003-03-06 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-20030044984-A1 1-O-L-arginyl ester 3-O-monoacyl glycerides and 1-O-L-arginyl ester 2,3-O-diacyl glycerides type surface active agents MGLL, DAGLA, ARG1 MEN1 3680/4885GAA 807/4885KMT2A 4034/4885

“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.