SCHEMBL4430898

SCHEMBL4430898

CC(C)(C)OC(=O)NCCC[C@H](NC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 6/20 0.48
HTT P42858 1/20 0.46
GAA P10253 1/20 0.45
BRD4 O60885 2/20 0.45
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
C3AR1 Q16581 1/20 0.43
ATM Q13315 1/20 0.43
TGM2 P21980 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42

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
SCHEMBL27793086 0.93 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL4989359 0.92 BRD4 (0.54) KDM4ESMN1; SMN2HTTGAABRD4
SCHEMBL4553760 0.91 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL4427434 0.90 C3AR1 (0.48) KDM4EALDH1A1SMN1; SMN2GAABRD4
SCHEMBL4989511 0.89 BRD4 (0.53) KDM4EALDH1A1SMN1; SMN2HTTBRD4
SCHEMBL4430752 0.88 C3AR1 (0.46) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL4427249 0.88 C3AR1 (0.44) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL4993722 0.87 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2HTTGAA
SCHEMBL4989827 0.86 MAPT (0.50) KDM4EALDH1A1SMN1; SMN2BRD4POLB
SCHEMBL4432156 0.86 C3AR1 (0.50) KDM4EALDH1A1SMN1; SMN2HTTGAA

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 4 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
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 KDM4E 2635/4885ALDH1A1 1639/4885SMN1; SMN2 2273/4885

“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.