SCHEMBL4553808

SCHEMBL4553808

CCOC(=O)N/C(=N/CC[C@H](NC(=O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O)C(=O)O)NC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 12/20 0.39
▸ NPY1R P25929 1/20 0.34
▸ BRD4 O60885 2/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL4553810 1.00 C3AR1 (0.39) C3AR1NPY1RBRD4BRD2BRD3
SCHEMBL4989542 0.88 C3AR1 (0.44) C3AR1NPY1R
SCHEMBL4989549 0.88 C3AR1 (0.44) C3AR1NPY1R
SCHEMBL14090798 0.82 C3AR1 (0.35) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL14115149 0.82 C3AR1 (0.35) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL14115720 0.82 C3AR1 (0.35) C3AR1BRD4BRD2BRD3BRDT
SCHEMBL4994313 0.81 C3AR1 (0.34) C3AR1BRD4MMP8KDM4EALDH1A1
SCHEMBL4986631 0.80 FOLH1 (0.38) C3AR1NPY1RBRD4KDM4EALDH1A1
SCHEMBL4430961 0.80 C3AR1 (0.37) C3AR1NPY1RBRD4MMP8KDM4E
SCHEMBL4429465 0.78 C3AR1 (0.50) C3AR1

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 1/4885NPY1R 384/4885BRD4 2776/4885

“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.

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