SCHEMBL4437670

SCHEMBL4437670

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
C3AR1 Q16581 5/20 0.45
CA2 P00918 5/20 0.44
CA1 P00915 4/20 0.44
PYGL P06737 1/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
MME P08473 1/20 0.36
ECE1 P42892 1/20 0.36

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
SCHEMBL4994874 0.91 NAALAD2 (0.49) C3AR1CA2CA1PYGLNAALAD2
SCHEMBL4992916 0.89 C3AR1 (0.44) C3AR1NAALAD2KDM4EALDH1A1
SCHEMBL4433904 0.87 C3AR1 (0.47) C3AR1PYGLMMP2MMP9
SCHEMBL5134378 0.87 C3AR1 (0.47) C3AR1PYGLMMP2MMP9
SCHEMBL14090888 0.86 CNR2 (0.39) KMT2AC3AR1KDM4EALDH1A1MAPK1
Bromide SCHEMBL4986289 0.86 C3AR1 (0.46) C3AR1PYGLMMP2MMP9
SCHEMBL4439606 0.86 C3AR1 (0.46) C3AR1CA2CA1PYGLMMP2
Bromide SCHEMBL4992858 0.86 C3AR1 (0.46) C3AR1PYGLMMP2MMP9
SCHEMBL4430852 0.85 C3AR1 (0.46) C3AR1NAALAD2MME
SCHEMBL4992633 0.85 C3AR1 (0.42) C3AR1KDM4EALDH1A1

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 6 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
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 KMT2A 2978/4885C3AR1 1/4885CA2 3182/4885

“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.