SCHEMBL4599885

SCHEMBL4599885

NCCCCC(NC(=O)CNCc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.48
BCHE P06276 3/20 0.45
BACE1 P56817 2/20 0.45
DPP7 Q9UHL4 1/20 0.44
FOLH1 Q04609 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 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
SCHEMBL4599882 1.00 TGM2 (0.48) TGM2BCHEBACE1DPP7FOLH1
SCHEMBL4600558 0.88 TGM2 (0.45) TGM2FOLH1
SCHEMBL4600554 0.88 TGM2 (0.45) TGM2FOLH1
SCHEMBL4739889 0.86 FOLH1 (0.55) FOLH1
SCHEMBL4739886 0.86 FOLH1 (0.55) FOLH1
SCHEMBL4738184 0.84 FOLH1 (0.62) FOLH1MEN1KMT2A
SCHEMBL4738193 0.84 FOLH1 (0.62) FOLH1MEN1KMT2A
SCHEMBL4739082 0.84 FOLH1 (0.46) FOLH1ITGB3ITGA2B
SCHEMBL4739090 0.84 FOLH1 (0.46) FOLH1ITGB3ITGA2B
SCHEMBL4889227 0.83 SMN1; SMN2 (0.51) TGM2L3MBTL1MEN1KMT2ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 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 (2 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 TGM2 393/4885BCHE 688/4885BACE1 4597/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH TGM2 611/4885BCHE 2976/4885BACE1 2849/4885

“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.