SCHEMBL4428322

SCHEMBL4428322

CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1cccn(Cc2cccc(I)c2)c1=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
BRD4 O60885 2/20 0.44
C3AR1 Q16581 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 0.41
FOLH1 Q04609 2/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.41
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PDPK1 O15530 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PAX8 Q06710 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL4989359 0.91 BRD4 (0.54) CNR1CNR2BRD4C3AR1SMN1; SMN2
SCHEMBL4434045 0.90 C3AR1 (0.46) BRD4C3AR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4989827 0.90 MAPT (0.50) BRD4C3AR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4553760 0.89 ALDH1A1 (0.57) BRD4C3AR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4989511 0.88 BRD4 (0.53) CNR1CNR2BRD4C3AR1SMN1; SMN2
SCHEMBL4426839 0.87 C3AR1 (0.47) CNR1CNR2BRD4C3AR1SMN1; SMN2
SCHEMBL4427249 0.87 C3AR1 (0.44) CNR1CNR2BRD4C3AR1SMN1; SMN2
SCHEMBL4430752 0.87 C3AR1 (0.46) CNR1CNR2BRD4C3AR1SMN1; SMN2
SCHEMBL4993655 0.87 CNR1 (0.52) CNR1CNR2BRD4C3AR1SMN1; SMN2
SCHEMBL4427434 0.86 C3AR1 (0.48) CNR1CNR2BRD4C3AR1SMN1; SMN2

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 CNR1 27/4885CNR2 42/4885BRD4 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.