SCHEMBL4994874

SCHEMBL4994874

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 5/20 0.49
GAA P10253 1/20 0.43
C3AR1 Q16581 1/20 0.42
GGH Q92820 1/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
FOLH1 Q04609 6/20 0.40
RIMKLA Q8IXN7 1/20 0.39
PYGL P06737 1/20 0.39

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
SCHEMBL4437670 0.91 KMT2A (0.46) NAALAD2C3AR1CA2CA1KDM4E
SCHEMBL4992916 0.88 C3AR1 (0.44) NAALAD2C3AR1KDM4EHPGD
SCHEMBL4430852 0.87 C3AR1 (0.46) NAALAD2C3AR1
SCHEMBL5134378 0.86 C3AR1 (0.47) C3AR1PYGL
SCHEMBL4433904 0.86 C3AR1 (0.47) C3AR1PYGL
SCHEMBL27772204 0.86 KDM4E (0.43) C3AR1KDM4EHPGD
Bromide SCHEMBL4992858 0.85 C3AR1 (0.46) C3AR1PYGL
Bromide SCHEMBL4986289 0.85 C3AR1 (0.46) C3AR1PYGL
SCHEMBL4439606 0.85 C3AR1 (0.46) C3AR1CA2CA1FOLH1PYGL
SCHEMBL4428267 0.85 NPSR1 (0.38) NAALAD2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611008-A C3A receptor modulators and methods of use thereof ENCYSIVE PHARMACEUTICALS INC (US) 2009-12-23 CN 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 NAALAD2 3124/4885GAA 4404/4885C3AR1 1/4885

“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.