SCHEMBL5870000

SCHEMBL5870000

CC(C)CC(NCC(C)C(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.52
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
FOLH1 Q04609 5/20 0.48
NAALAD2 Q9Y3Q0 2/20 0.48
APAF1 O14727 1/20 0.46
LAP3 P28838 3/20 0.42
PLA2G2A P14555 2/20 0.40
PLA2G5 P39877 2/20 0.40
RNPEP Q9H4A4 1/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
SLC7A5 Q01650 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
SCHEMBL73762 0.87 MAPT (0.60) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL2121537 0.87 MAPT (0.60) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL6374257 0.83 ALDH1A1 (0.53) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL1556456 0.80 ALDH1A1 (0.50) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL7369922 0.80 ALDH1A1 (0.50) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL7369923 0.80 ALDH1A1 (0.50) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL12541972 0.79 APAF1 (0.46) FOLH1NAALAD2APAF1
SCHEMBL28824310 0.79 ALDH1A1 (0.48) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL6010360 0.79 ALDH1A1 (0.48) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL28205062 0.79 ALDH1A1 (0.48) ALDH1A1MAPTMEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
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
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 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 ALDH1A1 1305/4885MAPT 2548/4885MEN1 3996/4885

“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.