SCHEMBL5869970

SCHEMBL5869970

CC(C)C[C@H](N[C@@H](Cc1coc(-c2ccccc2)n1)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.46
PPARA Q07869 3/20 0.46
LMNA P02545 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MME P08473 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR1 O14842 1/20 0.41
KLK1 P06870 1/20 0.41

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
SCHEMBL5869966 1.00 PPARG (0.46) PPARGPPARALMNAHDAC1HDAC8
SCHEMBL6932791 1.00 PPARG (0.46) PPARGPPARALMNAHDAC1HDAC8
SCHEMBL5869620 1.00 PPARG (0.46) PPARGPPARALMNAHDAC1HDAC8
SCHEMBL8436604 0.88 PPARG (0.42) PPARGPPARALMNAHDAC1HDAC8
SCHEMBL8434569 0.87 ACE2 (0.38) PPARGPPARAALDH1A1
SCHEMBL5869643 0.87 ACE2 (0.38) PPARGPPARAALDH1A1
SCHEMBL6931050 0.86 ACE2 (0.48) PPARGPPARALMNAALDH1A1FFAR1
SCHEMBL5869288 0.86 ACE2 (0.48) PPARGPPARALMNAALDH1A1FFAR1
SCHEMBL5869296 0.86 ACE2 (0.48) PPARGPPARALMNAALDH1A1FFAR1
SCHEMBL5869281 0.86 ACE2 (0.48) PPARGPPARALMNAALDH1A1FFAR1

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 3 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

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 PPARG 393/4885PPARA 540/4885LMNA 3320/4885

“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.