SCHEMBL4357263

SCHEMBL4357263

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)CN2CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.53
ACHE P22303 1/20 0.51
LMNA P02545 2/20 0.49
NPC1 O15118 3/20 0.49
TP53 P04637 1/20 0.49
PSMB8 P28062 2/20 0.48
PSMB9 P28065 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB10 P40306 1/20 0.48
PSMB2 P49721 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL4368412 0.85 GAA (0.62) RAB9AGAALMNAALDH1A1GLA
SCHEMBL4363645 0.84 GAA (0.58) RAB9AGAALMNAALDH1A1GLA
SCHEMBL4372262 0.83 GAA (0.61) RAB9AGAALMNAALDH1A1GLA
SCHEMBL4369207 0.82 GAA (0.56) RAB9AGAALMNAALDH1A1GLA
SCHEMBL4360114 0.82 GAA (0.58) RAB9AGAALMNAPSMB5ALDH1A1
SCHEMBL4364545 0.81 GAA (0.56) RAB9AGAALMNAALDH1A1GLA
SCHEMBL4369272 0.80 GAA (0.69) RAB9AGAALMNAPSMB5ALDH1A1
SCHEMBL13669573 0.80 GAA (0.69) RAB9AGAALMNAPSMB5ALDH1A1
SCHEMBL4362376 0.80 GAA (0.56) RAB9AGAALMNAALDH1A1GLA
SCHEMBL4370929 0.80 GAA (0.57) RAB9AGAALMNAPSMB5ALDH1A1

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-9023809-B2 Phenylalanine dipeptide derivatives, compositions and use thereof THE KEY LABORATORY OF CHEMISTRY FOR NATURAL PRODUCTS OF GUIZHOU PROVINCE AND CHINESE ACADEMY OF SCIENCES (CN) 2015-05-05 US disclosed
US-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF The Key Lab. Of Chemistry for Natural Products of Guizhou Province and Chinese Acad. of Sciences (CN) 2009-10-01 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-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF DNPEP, PEPD, VIP SMN1; SMN2 164/4885RAB9A 2865/4885GAA 407/4885

“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.