SCHEMBL2740066

SCHEMBL2740066

CC(NC(=O)C(N)CN)C(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
PTGS2 P35354 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ECE1 P42892 1/20 0.42
ACE P12821 2/20 0.41
MME P08473 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
OPRD1 P41143 11/20 0.41
OPRM1 P35372 6/20 0.41
OPRK1 P41145 1/20 0.41
DPP4 P27487 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP7 Q9UHL4 1/20 0.40
PTGS1 P23219 1/20 0.39
GSTK1 Q9Y2Q3 1/20 0.39
DPP8 Q6V1X1 1/20 0.38
GLO1 Q04760 1/20 0.37

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
SCHEMBL14031342 0.86 MME (0.49) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL30552957 0.86 ALDH1A1 (0.47) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL29670786 0.85 ALDH1A1 (0.46) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL30175156 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL2544527 0.84 ALDH1A1 (0.52) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL11253834 0.84 ALDH1A1 (0.52) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL31064905 0.83 ALDH1A1 (0.44) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL14359921 0.83 DPP4 (0.58) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL2739441 0.83 ALDH1A1 (0.48) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL2739537 0.83 ALDH1A1 (0.48) ALDH1A1LMNAMAPTPTGS2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512176-B2 Age inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-12-06 US disclosed
US-20120252866-A1 Age Inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-10-04 US disclosed
EP-1863832-B1 AGE INHIBITORS CENTRE NAT RECH SCIENT (FR) 2012-01-04 EP disclosed
US-20080249030-A1 Age Inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-10-09 US disclosed
US-20080249030-A1 Age Inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-10-09 US disclosed
WO-2006103274-A9 AGE INHIBITORS PHARMAMENS (FR) 2007-01-18 WO 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 (2 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-20120252866-A1 Age Inhibitors CFH, CDKL1, XPNPEP1 ALDH1A1 2949/4885LMNA 651/4885MAPT 3905/4885
US-20080249030-A1 Age Inhibitors CFH, XPA, XPNPEP1 ALDH1A1 1656/4885LMNA 530/4885MAPT 3229/4885

“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.