SCHEMBL4434045

SCHEMBL4434045

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.46
BRD4 O60885 2/20 0.44
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
BRD2 P25440 1/20 0.41

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
SCHEMBL4426839 0.94 C3AR1 (0.47) C3AR1BRD4SMN1; SMN2KDM4EALDH1A1
SCHEMBL4427434 0.91 C3AR1 (0.48) C3AR1BRD4CTSSCTSKSMN1; SMN2
SCHEMBL4989359 0.91 BRD4 (0.54) C3AR1BRD4CTSKSMN1; SMN2KDM4E
SCHEMBL4989827 0.90 MAPT (0.50) C3AR1BRD4SMN1; SMN2KDM4EALDH1A1
SCHEMBL4428322 0.90 CNR1 (0.49) C3AR1BRD4SMN1; SMN2KDM4EALDH1A1
SCHEMBL4553760 0.89 ALDH1A1 (0.57) C3AR1BRD4SMN1; SMN2KDM4EALDH1A1
SCHEMBL4430752 0.89 C3AR1 (0.46) C3AR1BRD4SMN1; SMN2KDM4EALDH1A1
SCHEMBL4989511 0.88 BRD4 (0.53) C3AR1BRD4SMN1; SMN2KDM4EALDH1A1
SCHEMBL4427249 0.87 C3AR1 (0.44) C3AR1BRD4SMN1; SMN2KDM4EALDH1A1
SCHEMBL4989531 0.87 C3AR1 (0.49) C3AR1BRD4SMN1; SMN2KDM4EALDH1A1

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 C3AR1 1/4885BRD4 2776/4885CTSB 1398/4885

“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.