SCHEMBL4429809

SCHEMBL4429809

CC(C)(C)OC(=O)NC(=N)NC(=O)CC[C@H](NC(=O)c1ccc(C(c2ccccc2)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.47
PPARG P37231 9/20 0.44
PPARA Q07869 9/20 0.44
PPARD Q03181 2/20 0.44
ACE P12821 1/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
ADAMTS4 O75173 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL14090969 0.93 NPSR1 (0.42) C3AR1PPARGPPARAPPARDADAMTS4
SCHEMBL4439638 0.85 C3AR1 (0.52) C3AR1PPARGPPARAPPARDACE
SCHEMBL4429476 0.80 C3AR1 (0.60) C3AR1ACECA2CA1HDAC1
SCHEMBL27793178 0.79 C3AR1 (0.56) C3AR1GRNSORT1HDAC6CTSK
SCHEMBL4438612 0.79 C3AR1 (0.56) C3AR1GRNSORT1HDAC6CTSK
SCHEMBL4428055 0.76 ADAMTS5 (0.52) C3AR1ADAMTS4ADAMTS5CA2CA1
SCHEMBL27772192 0.76 ADAMTS5 (0.52) C3AR1ADAMTS4ADAMTS5CA2CA1
SCHEMBL4986396 0.75 C3AR1 (0.64) C3AR1ADAMTS4ADAMTS5CA2CA1
SCHEMBL4429641 0.74 C3AR1 (0.45) C3AR1ADAMTS4ADAMTS5HDAC1HDAC8
SCHEMBL27792991 0.73 ADAMTS5 (0.48) C3AR1ADAMTS4ADAMTS5CA2CA1

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
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 C3AR1 1/4885PPARG 2064/4885PPARA 1091/4885

“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.