SCHEMBL8248644

SCHEMBL8248644

CCCCC(N[C@@H](CC(C)C)C(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.51
PLA2G5 P39877 2/20 0.51
ALDH1A1 P00352 2/20 0.48
FOLH1 Q04609 5/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MAPT P10636 2/20 0.43
NOD1 Q9Y239 1/20 0.42
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
MME P08473 1/20 0.40

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
SCHEMBL5869797 1.00 PLA2G2A (0.51) PLA2G2APLA2G5ALDH1A1FOLH1MEN1
SCHEMBL5869753 0.89 ALDH1A1 (0.52) PLA2G2APLA2G5ALDH1A1FOLH1MEN1
SCHEMBL8255402 0.89 ALDH1A1 (0.52) PLA2G2APLA2G5ALDH1A1FOLH1MEN1
SCHEMBL6238817 0.88 CA2 (0.52) MAPTNOD1CA2MAPK1SLC1A3
SCHEMBL3898059 0.82 CA2 (0.47) PLA2G2APLA2G5CTSKNOD1CA2
SCHEMBL13392452 0.82 CA2 (0.47) PLA2G2APLA2G5CTSKNOD1CA2
SCHEMBL21059134 0.81 PLA2G2A (0.55) PLA2G2APLA2G5ALDH1A1FOLH1MEN1
SCHEMBL21059133 0.81 PLA2G2A (0.55) PLA2G2APLA2G5ALDH1A1FOLH1MEN1
SCHEMBL17024089 0.80 GPR84 (0.57) MAPTNOD1
SCHEMBL11220090 0.80 GPR84 (0.57) MAPTNOD1

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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 PLA2G2A 518/4885PLA2G5 616/4885ALDH1A1 1305/4885

“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.