SCHEMBL2739441

SCHEMBL2739441

NC[C@H](N)C(=O)NCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
PTGS2 P35354 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTGS1 P23219 1/20 0.42
GSTK1 Q9Y2Q3 1/20 0.42
ECE1 P42892 2/20 0.42
MME P08473 5/20 0.41
ACE P12821 3/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
GLO1 Q04760 1/20 0.37
DPP7 Q9UHL4 2/20 0.36
DPP4 P27487 1/20 0.36
DPP9 Q86TI2 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL2739680 1.00 ALDH1A1 (0.48) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL2739537 1.00 ALDH1A1 (0.48) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL2740066 0.83 ALDH1A1 (0.47) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL12161295 0.82 ALDH1A1 (0.48) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL9067361 0.82 ALDH1A1 (0.48) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL8070171 0.82 ALDH1A1 (0.48) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL2582106 0.82 ALDH1A1 (0.48) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL8070167 0.82 ALDH1A1 (0.48) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL2633077 0.82 DPP7 (0.36) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL2581218 0.82 ALDH1A1 (0.48) ALDH1A1MAPTLMNAPTGS2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232459-A1 NOVEL CXCR4-TARGETING COMPOUNDS Provincial Health Services Authority (CA) 2023-08-30 EP disclosed
WO-2022082312-A1 NOVEL CXCR4-TARGETING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-04-28 WO disclosed
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 2949/4885MAPT 3905/4885LMNA 651/4885
US-20080249030-A1 Age Inhibitors CFH, XPA, XPNPEP1 ALDH1A1 1656/4885MAPT 3229/4885LMNA 530/4885

“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.