SCHEMBL4992093

SCHEMBL4992093

N=C(N)NCCC[C@H](NC(=O)c1cccn(-c2ccc(-c3ccccc3)cc2)c1=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 9/20 0.45
▸ F10 P00742 2/20 0.34
▸ AXL P30530 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ CAPN1 P07384 2/20 0.34
▸ PADI1 Q9ULC6 1/20 0.34
▸ PADI3 Q9ULW8 1/20 0.34
▸ PADI4 Q9UM07 1/20 0.34
▸ FOLH1 Q04609 3/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ SHMT1 P34896 1/20 0.33

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
SCHEMBL4994131 0.95 C3AR1 (0.47) C3AR1PADI1PADI3PADI4FOLH1
SCHEMBL4989893 0.89 C3AR1 (0.42) C3AR1CAPN1FOLH1
SCHEMBL4990514 0.85 C3AR1 (0.54) C3AR1BRD4
SCHEMBL4991417 0.83 C3AR1 (0.46) C3AR1FOLH1BRD4
SCHEMBL4566055 0.82 C3AR1 (0.45) C3AR1
SCHEMBL4989795 0.82 C3AR1 (0.56) C3AR1BRD4
SCHEMBL14090758 0.82 C3AR1 (0.56) C3AR1BRD4
SCHEMBL4989846 0.82 C3AR1 (0.56) C3AR1BRD4
SCHEMBL4991622 0.82 C3AR1 (0.45) C3AR1
SCHEMBL4992975 0.81 C3AR1 (0.51) C3AR1BRD4

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-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

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 1/4885F10 432/4885AXL 425/4885

“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.

Send feedback