SCHEMBL4427448

SCHEMBL4427448

CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1cccn(Cc2ccccc2Cl)c1=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.51
MAPT P10636 3/20 0.47
THRB P10828 1/20 0.46
BRD4 O60885 2/20 0.43
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CRHBP P24387 1/20 0.41
CYP2C19 P33261 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGER3 P43115 4/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
KCNA5 P22460 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40

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) C3AR1MAPTBRD4KDM4ESMN1; SMN2
SCHEMBL4432156 0.89 C3AR1 (0.50) C3AR1MAPTTHRBBRD4KDM4E
SCHEMBL4989511 0.88 BRD4 (0.53) C3AR1MAPTBRD4KDM4EALDH1A1
SCHEMBL4430752 0.87 C3AR1 (0.46) C3AR1MAPTBRD4KDM4EALDH1A1
SCHEMBL4993925 0.86 C3AR1 (0.54) C3AR1MAPTTHRBBRD4KDM4E
SCHEMBL4427434 0.86 C3AR1 (0.48) C3AR1MAPTBRD4KDM4EALDH1A1
SCHEMBL4989827 0.85 MAPT (0.50) C3AR1MAPTBRD4KDM4EALDH1A1
SCHEMBL4430898 0.84 KDM4E (0.55) C3AR1BRD4KDM4ECYP2C9CYP2C19
SCHEMBL14090936 0.84 BRD4 (0.50) MAPTBRD4KDM4EALDH1A1SMN1; SMN2
SCHEMBL4427249 0.83 C3AR1 (0.44) C3AR1MAPTBRD4KDM4EALDH1A1

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 1/4885MAPT 4654/4885THRB 627/4885

“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.