SCHEMBL4989359

SCHEMBL4989359

CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1cccn(Cc2ccccc2)c1=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.54
BRD2 P25440 1/20 0.51
BRD3 Q15059 1/20 0.51
BRDT Q58F21 1/20 0.51
C3AR1 Q16581 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.47
CNR1 P21554 3/20 0.46
CNR2 P34972 3/20 0.46
POLB P06746 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PAX8 Q06710 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
MMP1 P03956 1/20 0.44

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
SCHEMBL4989511 0.97 BRD4 (0.53) BRD4BRD2BRD3BRDTC3AR1
SCHEMBL4427434 0.93 C3AR1 (0.48) BRD4BRD2BRD3BRDTC3AR1
SCHEMBL14090936 0.93 BRD4 (0.50) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL4989827 0.93 MAPT (0.50) BRD4BRD2BRD3BRDTC3AR1
SCHEMBL4430752 0.92 C3AR1 (0.46) BRD4BRD2BRD3BRDTC3AR1
SCHEMBL4430898 0.92 KDM4E (0.55) BRD4BRD2BRD3BRDTC3AR1
SCHEMBL4428322 0.91 CNR1 (0.49) BRD4BRD2BRD3BRDTC3AR1
SCHEMBL4434045 0.91 C3AR1 (0.46) BRD4BRD2BRD3BRDTC3AR1
SCHEMBL4427249 0.91 C3AR1 (0.44) BRD4BRD2BRD3BRDTC3AR1
SCHEMBL4427448 0.91 C3AR1 (0.51) BRD4BRD2BRD3BRDTC3AR1

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
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 BRD4 2776/4885BRD2 4008/4885BRD3 3120/4885

“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.