SCHEMBL4429476

SCHEMBL4429476

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 5/20 0.60
CA2 P00918 7/20 0.48
CA1 P00915 4/20 0.48
HDAC6 Q9UBN7 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
FOLH1 Q04609 2/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.41
ACE P12821 2/20 0.40
ACHE P22303 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
SCHEMBL4991996 0.83 C3AR1 (0.64) C3AR1
SCHEMBL4986396 0.82 C3AR1 (0.64) C3AR1CA2CA1HDAC6HDAC1
SCHEMBL4429809 0.80 C3AR1 (0.47) C3AR1CA2CA1HDAC6HDAC1
SCHEMBL10806044 0.78 ACE (0.53) CA2CA1FOLH1ACEACHE
SCHEMBL4987446 0.78 C3AR1 (0.72) C3AR1CA2CA1HDAC6HDAC1
SCHEMBL27772282 0.78 C3AR1 (0.72) C3AR1CA2CA1HDAC6HDAC1
SCHEMBL4992532 0.74 C3AR1 (0.60) C3AR1CA2HDAC6HDAC1HDAC8
SCHEMBL5260686 0.74 CA2 (0.70) C3AR1CA2CA1FOLH1ACE
SCHEMBL5260684 0.74 CA2 (0.70) C3AR1CA2CA1FOLH1ACE
SCHEMBL14090969 0.73 NPSR1 (0.42) C3AR1HDAC6HDAC1HDAC8

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 5 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
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US 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 1/4885CA2 3182/4885CA1 3413/4885

“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.