SCHEMBL5869425

SCHEMBL5869425

COC(=O)C(N)CC1COC(=O)N1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.36
PPARA Q07869 5/20 0.34
PPARG P37231 2/20 0.34
CASR P41180 1/20 0.34
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
P2RX3 P56373 1/20 0.32
P2RX7 Q99572 3/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL8256335 1.00 HDAC1 (0.36) HDAC1PPARAPPARGCASRGRN
SCHEMBL5870354 0.82 GRN (0.40) HDAC1GRNSORT1
SCHEMBL8431108 0.82 GRN (0.40) HDAC1GRNSORT1
SCHEMBL5870192 0.76 HDAC1 (0.36) HDAC1PPARAPPARGHCRTR1HCRTR2
SCHEMBL5869738 0.76 P2RX7 (0.39) P2RX7HCRTR1HCRTR2
SCHEMBL5869731 0.76 P2RX7 (0.39) P2RX7HCRTR1HCRTR2
SCHEMBL5870220 0.75 ACE2 (0.49) HDAC1PPARAPPARGGRNSORT1
SCHEMBL5869937 0.75 ACE2 (0.49) HDAC1PPARAPPARGGRNSORT1
SCHEMBL5869941 0.75 ACE2 (0.49) HDAC1PPARAPPARGGRNSORT1
SCHEMBL8249930 0.75 ACE2 (0.49) HDAC1PPARAPPARGGRNSORT1

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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 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 (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 HDAC1 236/4885PPARA 540/4885PPARG 393/4885

“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.